5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(3R)-3-methyl-3-propylpiperidin-1-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde;(3R)-3-methyl-3-propylpiperidine

C60H74F4N14O — CID 164969318

IUPAC5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(3R)-3-methyl-3-propylpiperidin-1-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde;(3R)-3-methyl-3-propylpiperidine
SMILESCCC[C@]1(C)CCCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)C1.CCC[C@]1(C)CCCNC1.Cc1nc2c(F)cc(-c3nc(Nc4ccc(C=O)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C30H37F2N7.C21H18F2N6O.C9H19N/c1-6-10-30(5)11-7-12-38(18-30)17-21-8-9-26(33-15-21)36-29-34-16-24(32)27(37-29)22-13-23(31)28-25(14-22)39(19(2)3)20(4)35-28;1-11(2)29-12(3)26-20-15(22)6-14(7-17(20)29)19-16(23)9-25-21(28-19)27-18-5-4-13(10-30)8-24-18;1-3-5-9(2)6-4-7-10-8-9/h8-9,13-16,19H,6-7,10-12,17-18H2,1-5H3,(H,33,34,36,37);4-11H,1-3H3,(H,24,25,27,28);10H,3-8H2,1-2H3/t30-;;9-/m1.1/s1
InChIKeyCXGORMQYHNRICC-RMAUQJBVSA-N
MW1083.34 g/mol
LogP13.99
Rot. Bonds15

About 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(3R)-3-methyl-3-propylpiperidin-1-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde;(3R)-3-methyl-3-propylpiperidine

5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(3R)-3-methyl-3-propylpiperidin-1-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde;(3R)-3-methyl-3-propylpiperidine (PubChem CID 164969318) has the molecular formula C60H74F4N14O and a molecular weight of 1083.34 g/mol. Its IUPAC name is 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(3R)-3-methyl-3-propylpiperidin-1-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde;(3R)-3-methyl-3-propylpiperidine.

Molecular Properties

Compound Name5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(3R)-3-methyl-3-propylpiperidin-1-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde;(3R)-3-methyl-3-propylpiperidine
PubChem CID164969318
Molecular FormulaC60H74F4N14O
Molecular Weight1083.34 g/mol
Exact Mass1082.61
IUPAC Name5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(3R)-3-methyl-3-propylpiperidin-1-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde;(3R)-3-methyl-3-propylpiperidine
SMILESCCC[C@]1(C)CCCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)C1.CCC[C@]1(C)CCCNC1.Cc1nc2c(F)cc(-c3nc(Nc4ccc(C=O)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C30H37F2N7.C21H18F2N6O.C9H19N/c1-6-10-30(5)11-7-12-38(18-30)17-21-8-9-26(33-15-21)36-29-34-16-24(32)27(37-29)22-13-23(31)28-25(14-22)39(19(2)3)20(4)35-28;1-11(2)29-12(3)26-20-15(22)6-14(7-17(20)29)19-16(23)9-25-21(28-19)27-18-5-4-13(10-30)8-24-18;1-3-5-9(2)6-4-7-10-8-9/h8-9,13-16,19H,6-7,10-12,17-18H2,1-5H3,(H,33,34,36,37);4-11H,1-3H3,(H,24,25,27,28);10H,3-8H2,1-2H3/t30-;;9-/m1.1/s1
InChIKeyCXGORMQYHNRICC-RMAUQJBVSA-N
XLogP13.99
TPSA169.38 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001083.34
LogP ≤ 513.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(3R)-3-methyl-3-propylpiperidin-1-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde;(3R)-3-methyl-3-propylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

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US11203591, Example 278
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US11203591, Example 223
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US11203591, Example 284
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US11203591, Example 242
CID 163200176
[6-[[4-[3-(Diethylamino)quinoxalin-6-yl]-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 166626343
[6-[[4-[3-(Dimethylamino)quinoxalin-6-yl]-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 166626758

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(3R)-3-methyl-3-propylpiperidin-1-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde;(3R)-3-methyl-3-propylpiperidine?
The IUPAC name of 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(3R)-3-methyl-3-propylpiperidin-1-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde;(3R)-3-methyl-3-propylpiperidine (CID 164969318) is 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(3R)-3-methyl-3-propylpiperidin-1-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde;(3R)-3-methyl-3-propylpiperidine.
What is the SMILES notation for 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(3R)-3-methyl-3-propylpiperidin-1-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde;(3R)-3-methyl-3-propylpiperidine?
The canonical SMILES for 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(3R)-3-methyl-3-propylpiperidin-1-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde;(3R)-3-methyl-3-propylpiperidine is CCC[C@]1(C)CCCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)C1.CCC[C@]1(C)CCCNC1.Cc1nc2c(F)cc(-c3nc(Nc4ccc(C=O)cn4)ncc3F)cc2n1C(C)C.
What is the InChIKey of 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(3R)-3-methyl-3-propylpiperidin-1-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde;(3R)-3-methyl-3-propylpiperidine?
The InChIKey is CXGORMQYHNRICC-RMAUQJBVSA-N. The full InChI is InChI=1S/C30H37F2N7.C21H18F2N6O.C9H19N/c1-6-10-30(5)11-7-12-38(18-30)17-21-8-9-26(33-15-21)36-29-34-16-24(32)27(37-29)22-13-23(31)28-25(14-22)39(19(2)3)20(4)35-28;1-11(2)29-12(3)26-20-15(22)6-14(7-17(20)29)19-16(23)9-25-21(28-19)27-18-5-4-13(10-30)8-24-18;1-3-5-9(2)6-4-7-10-8-9/h8-9,13-16,19H,6-7,10-12,17-18H2,1-5H3,(H,33,34,36,37);4-11H,1-3H3,(H,24,25,27,28);10H,3-8H2,1-2H3/t30-;;9-/m1.1/s1.
What are the key properties of 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(3R)-3-methyl-3-propylpiperidin-1-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde;(3R)-3-methyl-3-propylpiperidine?
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(3R)-3-methyl-3-propylpiperidin-1-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde;(3R)-3-methyl-3-propylpiperidine has a molecular weight of 1083.34 g/mol, XLogP of 13.99, 15 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(3R)-3-methyl-3-propylpiperidin-1-yl]methyl]-2-pyridinyl]pyrimidin-2-amine;6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridine-3-carbaldehyde;(3R)-3-methyl-3-propylpiperidine is sourced from PubChem (CID 164969318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).