4-(3-cyclopentyl-2,7-dimethylbenzimidazol-5-yl)-N-[5-[4-(diethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoropyrimidin-2-amine;N-[5-[4-(diethylamino)piperidin-1-yl]-6-methyl-2-pyridinyl]-4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-amine;4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1-ethylpiperidin-4-yl)sulfanyl-2-pyridinyl]pyrimidin-2-amine

C91H117F2N23S — CID 158749849

IUPAC4-(3-cyclopentyl-2,7-dimethylbenzimidazol-5-yl)-N-[5-[4-(diethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoropyrimidin-2-amine;N-[5-[4-(diethylamino)piperidin-1-yl]-6-methyl-2-pyridinyl]-4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-amine;4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1-ethylpiperidin-4-yl)sulfanyl-2-pyridinyl]pyrimidin-2-amine
SMILESCCN(CC)C1CCN(c2ccc(Nc3ncc(F)c(-c4cc(C)c5nc(C)n(C(C)C)c5c4)n3)nc2C)CC1.CCN(CC)C1CCN(c2ccc(Nc3ncc(F)c(-c4cc(C)c5nc(C)n(C6CCCC6)c5c4)n3)nc2)CC1.CCN1CCC(Sc2ccc(Nc3nccc(-c4cc(C)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1
InChIInChI=1S/C32H41FN8.C31H41FN8.C28H35N7S/c1-5-39(6-2)24-13-15-40(16-14-24)26-11-12-29(34-19-26)37-32-35-20-27(33)31(38-32)23-17-21(3)30-28(18-23)41(22(4)36-30)25-9-7-8-10-25;1-8-38(9-2)24-12-14-39(15-13-24)26-10-11-28(34-21(26)6)36-31-33-18-25(32)30(37-31)23-16-20(5)29-27(17-23)40(19(3)4)22(7)35-29;1-6-34-13-10-22(11-14-34)36-23-7-8-26(30-17-23)33-28-29-12-9-24(32-28)21-15-19(4)27-25(16-21)35(18(2)3)20(5)31-27/h11-12,17-20,24-25H,5-10,13-16H2,1-4H3,(H,34,35,37,38);10-11,16-19,24H,8-9,12-15H2,1-7H3,(H,33,34,36,37);7-9,12,15-18,22H,6,10-11,13-14H2,1-5H3,(H,29,30,32,33)
InChIKeyINILAMFKGFXRKW-UHFFFAOYSA-N
MW1603.16 g/mol
LogP19.81
Rot. Bonds23

About 4-(3-cyclopentyl-2,7-dimethylbenzimidazol-5-yl)-N-[5-[4-(diethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoropyrimidin-2-amine;N-[5-[4-(diethylamino)piperidin-1-yl]-6-methyl-2-pyridinyl]-4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-amine;4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1-ethylpiperidin-4-yl)sulfanyl-2-pyridinyl]pyrimidin-2-amine

4-(3-cyclopentyl-2,7-dimethylbenzimidazol-5-yl)-N-[5-[4-(diethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoropyrimidin-2-amine;N-[5-[4-(diethylamino)piperidin-1-yl]-6-methyl-2-pyridinyl]-4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-amine;4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1-ethylpiperidin-4-yl)sulfanyl-2-pyridinyl]pyrimidin-2-amine (PubChem CID 158749849) has the molecular formula C91H117F2N23S and a molecular weight of 1603.16 g/mol. Its IUPAC name is 4-(3-cyclopentyl-2,7-dimethylbenzimidazol-5-yl)-N-[5-[4-(diethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoropyrimidin-2-amine;N-[5-[4-(diethylamino)piperidin-1-yl]-6-methyl-2-pyridinyl]-4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-amine;4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1-ethylpiperidin-4-yl)sulfanyl-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-cyclopentyl-2,7-dimethylbenzimidazol-5-yl)-N-[5-[4-(diethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoropyrimidin-2-amine;N-[5-[4-(diethylamino)piperidin-1-yl]-6-methyl-2-pyridinyl]-4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-amine;4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1-ethylpiperidin-4-yl)sulfanyl-2-pyridinyl]pyrimidin-2-amine
PubChem CID158749849
Molecular FormulaC91H117F2N23S
Molecular Weight1603.16 g/mol
Exact Mass1601.96
IUPAC Name4-(3-cyclopentyl-2,7-dimethylbenzimidazol-5-yl)-N-[5-[4-(diethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoropyrimidin-2-amine;N-[5-[4-(diethylamino)piperidin-1-yl]-6-methyl-2-pyridinyl]-4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-amine;4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1-ethylpiperidin-4-yl)sulfanyl-2-pyridinyl]pyrimidin-2-amine
SMILESCCN(CC)C1CCN(c2ccc(Nc3ncc(F)c(-c4cc(C)c5nc(C)n(C(C)C)c5c4)n3)nc2C)CC1.CCN(CC)C1CCN(c2ccc(Nc3ncc(F)c(-c4cc(C)c5nc(C)n(C6CCCC6)c5c4)n3)nc2)CC1.CCN1CCC(Sc2ccc(Nc3nccc(-c4cc(C)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1
InChIInChI=1S/C32H41FN8.C31H41FN8.C28H35N7S/c1-5-39(6-2)24-13-15-40(16-14-24)26-11-12-29(34-19-26)37-32-35-20-27(33)31(38-32)23-17-21(3)30-28(18-23)41(22(4)36-30)25-9-7-8-10-25;1-8-38(9-2)24-12-14-39(15-13-24)26-10-11-28(34-21(26)6)36-31-33-18-25(32)30(37-31)23-16-20(5)29-27(17-23)40(19(3)4)22(7)35-29;1-6-34-13-10-22(11-14-34)36-23-7-8-26(30-17-23)33-28-29-12-9-24(32-28)21-15-19(4)27-25(16-21)35(18(2)3)20(5)31-27/h11-12,17-20,24-25H,5-10,13-16H2,1-4H3,(H,34,35,37,38);10-11,16-19,24H,8-9,12-15H2,1-7H3,(H,33,34,36,37);7-9,12,15-18,22H,6,10-11,13-14H2,1-5H3,(H,29,30,32,33)
InChIKeyINILAMFKGFXRKW-UHFFFAOYSA-N
XLogP19.81
TPSA221.76 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001603.16
LogP ≤ 519.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze 4-(3-cyclopentyl-2,7-dimethylbenzimidazol-5-yl)-N-[5-[4-(diethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoropyrimidin-2-amine;N-[5-[4-(diethylamino)piperidin-1-yl]-6-methyl-2-pyridinyl]-4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-amine;4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1-ethylpiperidin-4-yl)sulfanyl-2-pyridinyl]pyrimidin-2-amine with MolForge

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Related Compounds

4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-6-methyl-2-pyridinyl]-5-fluoropyrimidin-2-amine
CID 130310826
1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-ol
CID 118859726
4-(3-cyclopropyl-2,7-dimethylbenzimidazol-5-yl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-2-amine
CID 130310821
N-[5-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 118859766
N-[5-[cyclopentyl-(1-ethylpiperidin-4-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 146604547
N-[5-[(2S)-2-(1-ethylpiperidin-4-yl)oxiran-2-yl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 146604025
6-(4-ethylpiperazin-1-yl)-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]quinolin-2-amine
CID 118700791
4-(3-cyclobutyl-2,6-dimethylthieno[2,3-d]imidazol-5-yl)-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine
CID 164709759
(1R)-1-(1-ethylpiperidin-4-yl)-1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]propan-1-ol
CID 153493346
1-(1-ethylpiperidin-4-yl)-1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]propan-1-ol
CID 146604505
N-[5-[1-(1-ethylpiperidin-4-yl)prop-2-ynyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 146603862
(2R)-2-(1-ethylpiperidin-4-yl)-2-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]acetonitrile
CID 146604114

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentyl-2,7-dimethylbenzimidazol-5-yl)-N-[5-[4-(diethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoropyrimidin-2-amine;N-[5-[4-(diethylamino)piperidin-1-yl]-6-methyl-2-pyridinyl]-4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-amine;4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1-ethylpiperidin-4-yl)sulfanyl-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4-(3-cyclopentyl-2,7-dimethylbenzimidazol-5-yl)-N-[5-[4-(diethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoropyrimidin-2-amine;N-[5-[4-(diethylamino)piperidin-1-yl]-6-methyl-2-pyridinyl]-4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-amine;4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1-ethylpiperidin-4-yl)sulfanyl-2-pyridinyl]pyrimidin-2-amine (CID 158749849) is 4-(3-cyclopentyl-2,7-dimethylbenzimidazol-5-yl)-N-[5-[4-(diethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoropyrimidin-2-amine;N-[5-[4-(diethylamino)piperidin-1-yl]-6-methyl-2-pyridinyl]-4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-amine;4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1-ethylpiperidin-4-yl)sulfanyl-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-cyclopentyl-2,7-dimethylbenzimidazol-5-yl)-N-[5-[4-(diethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoropyrimidin-2-amine;N-[5-[4-(diethylamino)piperidin-1-yl]-6-methyl-2-pyridinyl]-4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-amine;4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1-ethylpiperidin-4-yl)sulfanyl-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4-(3-cyclopentyl-2,7-dimethylbenzimidazol-5-yl)-N-[5-[4-(diethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoropyrimidin-2-amine;N-[5-[4-(diethylamino)piperidin-1-yl]-6-methyl-2-pyridinyl]-4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-amine;4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1-ethylpiperidin-4-yl)sulfanyl-2-pyridinyl]pyrimidin-2-amine is CCN(CC)C1CCN(c2ccc(Nc3ncc(F)c(-c4cc(C)c5nc(C)n(C(C)C)c5c4)n3)nc2C)CC1.CCN(CC)C1CCN(c2ccc(Nc3ncc(F)c(-c4cc(C)c5nc(C)n(C6CCCC6)c5c4)n3)nc2)CC1.CCN1CCC(Sc2ccc(Nc3nccc(-c4cc(C)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.
What is the InChIKey of 4-(3-cyclopentyl-2,7-dimethylbenzimidazol-5-yl)-N-[5-[4-(diethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoropyrimidin-2-amine;N-[5-[4-(diethylamino)piperidin-1-yl]-6-methyl-2-pyridinyl]-4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-amine;4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1-ethylpiperidin-4-yl)sulfanyl-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is INILAMFKGFXRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41FN8.C31H41FN8.C28H35N7S/c1-5-39(6-2)24-13-15-40(16-14-24)26-11-12-29(34-19-26)37-32-35-20-27(33)31(38-32)23-17-21(3)30-28(18-23)41(22(4)36-30)25-9-7-8-10-25;1-8-38(9-2)24-12-14-39(15-13-24)26-10-11-28(34-21(26)6)36-31-33-18-25(32)30(37-31)23-16-20(5)29-27(17-23)40(19(3)4)22(7)35-29;1-6-34-13-10-22(11-14-34)36-23-7-8-26(30-17-23)33-28-29-12-9-24(32-28)21-15-19(4)27-25(16-21)35(18(2)3)20(5)31-27/h11-12,17-20,24-25H,5-10,13-16H2,1-4H3,(H,34,35,37,38);10-11,16-19,24H,8-9,12-15H2,1-7H3,(H,33,34,36,37);7-9,12,15-18,22H,6,10-11,13-14H2,1-5H3,(H,29,30,32,33).
What are the key properties of 4-(3-cyclopentyl-2,7-dimethylbenzimidazol-5-yl)-N-[5-[4-(diethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoropyrimidin-2-amine;N-[5-[4-(diethylamino)piperidin-1-yl]-6-methyl-2-pyridinyl]-4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-amine;4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1-ethylpiperidin-4-yl)sulfanyl-2-pyridinyl]pyrimidin-2-amine?
4-(3-cyclopentyl-2,7-dimethylbenzimidazol-5-yl)-N-[5-[4-(diethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoropyrimidin-2-amine;N-[5-[4-(diethylamino)piperidin-1-yl]-6-methyl-2-pyridinyl]-4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-amine;4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1-ethylpiperidin-4-yl)sulfanyl-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 1603.16 g/mol, XLogP of 19.81, 23 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentyl-2,7-dimethylbenzimidazol-5-yl)-N-[5-[4-(diethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoropyrimidin-2-amine;N-[5-[4-(diethylamino)piperidin-1-yl]-6-methyl-2-pyridinyl]-4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoropyrimidin-2-amine;4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1-ethylpiperidin-4-yl)sulfanyl-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 158749849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).