[(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(R)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(S)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(3-methoxypropyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine

C151H179F10N35O8 — CID 159361407

IUPAC[(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(R)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(S)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(3-methoxypropyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCCN1CCC(C(OC(C)=O)c2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.CCN1CCC([C@@H](OC(C)=O)c2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.CCN1CCC([C@H](OC(C)=O)c2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.COCCCN1CCC(=Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.COCCCN1CCC(C(C)c2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1
InChIInChI=1S/C31H39F2N7O.3C30H35F2N7O2.C30H35F2N7O/c1-19(2)40-21(4)36-30-25(32)15-24(16-27(30)40)29-26(33)18-35-31(38-29)37-28-8-7-23(17-34-28)20(3)22-9-12-39(13-10-22)11-6-14-41-5;3*1-6-38-11-9-20(10-12-38)29(41-19(5)40)21-7-8-26(33-15-21)36-30-34-16-24(32)27(37-30)22-13-23(31)28-25(14-22)39(17(2)3)18(4)35-28;1-19(2)39-20(3)35-29-24(31)15-23(16-26(29)39)28-25(32)18-34-30(37-28)36-27-7-6-22(17-33-27)14-21-8-11-38(12-9-21)10-5-13-40-4/h7-8,15-20,22H,6,9-14H2,1-5H3,(H,34,35,37,38);3*7-8,13-17,20,29H,6,9-12H2,1-5H3,(H,33,34,36,37);6-7,14-19H,5,8-13H2,1-4H3,(H,33,34,36,37)/t;2*29-;;/m.10../s1
InChIKeyLIOXOMPLOVDVQS-RDUAOKHBSA-N
MW2802.31 g/mol
LogP31.37
Rot. Bonds43

About [(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(R)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(S)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(3-methoxypropyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine

[(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(R)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(S)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(3-methoxypropyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 159361407) has the molecular formula C151H179F10N35O8 and a molecular weight of 2802.31 g/mol. Its IUPAC name is [(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(R)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(S)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(3-methoxypropyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name[(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(R)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(S)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(3-methoxypropyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID159361407
Molecular FormulaC151H179F10N35O8
Molecular Weight2802.31 g/mol
Exact Mass2800.45
IUPAC Name[(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(R)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(S)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(3-methoxypropyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCCN1CCC(C(OC(C)=O)c2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.CCN1CCC([C@@H](OC(C)=O)c2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.CCN1CCC([C@H](OC(C)=O)c2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.COCCCN1CCC(=Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.COCCCN1CCC(C(C)c2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1
InChIInChI=1S/C31H39F2N7O.3C30H35F2N7O2.C30H35F2N7O/c1-19(2)40-21(4)36-30-25(32)15-24(16-27(30)40)29-26(33)18-35-31(38-29)37-28-8-7-23(17-34-28)20(3)22-9-12-39(13-10-22)11-6-14-41-5;3*1-6-38-11-9-20(10-12-38)29(41-19(5)40)21-7-8-26(33-15-21)36-30-34-16-24(32)27(37-30)22-13-23(31)28-25(14-22)39(17(2)3)18(4)35-28;1-19(2)39-20(3)35-29-24(31)15-23(16-26(29)39)28-25(32)18-34-30(37-28)36-27-7-6-22(17-33-27)14-21-8-11-38(12-9-21)10-5-13-40-4/h7-8,15-20,22H,6,9-14H2,1-5H3,(H,34,35,37,38);3*7-8,13-17,20,29H,6,9-12H2,1-5H3,(H,33,34,36,37);6-7,14-19H,5,8-13H2,1-4H3,(H,33,34,36,37)/t;2*29-;;/m.10../s1
InChIKeyLIOXOMPLOVDVQS-RDUAOKHBSA-N
XLogP31.37
TPSA456.16 Ų
H-Bond Donors5
H-Bond Acceptors43
Rotatable Bonds43
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002802.31
LogP ≤ 531.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(R)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(S)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(3-methoxypropyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(R)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(S)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(3-methoxypropyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of [(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(R)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(S)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(3-methoxypropyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine (CID 159361407) is [(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(R)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(S)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(3-methoxypropyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for [(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(R)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(S)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(3-methoxypropyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for [(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(R)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(S)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(3-methoxypropyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine is CCN1CCC(C(OC(C)=O)c2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.CCN1CCC([C@@H](OC(C)=O)c2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.CCN1CCC([C@H](OC(C)=O)c2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.COCCCN1CCC(=Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.COCCCN1CCC(C(C)c2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.
What is the InChIKey of [(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(R)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(S)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(3-methoxypropyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is LIOXOMPLOVDVQS-RDUAOKHBSA-N. The full InChI is InChI=1S/C31H39F2N7O.3C30H35F2N7O2.C30H35F2N7O/c1-19(2)40-21(4)36-30-25(32)15-24(16-27(30)40)29-26(33)18-35-31(38-29)37-28-8-7-23(17-34-28)20(3)22-9-12-39(13-10-22)11-6-14-41-5;3*1-6-38-11-9-20(10-12-38)29(41-19(5)40)21-7-8-26(33-15-21)36-30-34-16-24(32)27(37-30)22-13-23(31)28-25(14-22)39(17(2)3)18(4)35-28;1-19(2)39-20(3)35-29-24(31)15-23(16-26(29)39)28-25(32)18-34-30(37-28)36-27-7-6-22(17-33-27)14-21-8-11-38(12-9-21)10-5-13-40-4/h7-8,15-20,22H,6,9-14H2,1-5H3,(H,34,35,37,38);3*7-8,13-17,20,29H,6,9-12H2,1-5H3,(H,33,34,36,37);6-7,14-19H,5,8-13H2,1-4H3,(H,33,34,36,37)/t;2*29-;;/m.10../s1.
What are the key properties of [(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(R)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(S)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(3-methoxypropyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine?
[(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(R)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(S)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(3-methoxypropyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 2802.31 g/mol, XLogP of 31.37, 43 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(R)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;[(S)-(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl] acetate;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(3-methoxypropyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 159361407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).