2-[[2-ethyl-6-[6-[4-(piperidin-4-ylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C35H38FN9S — CID 163239478

IUPAC2-[[2-ethyl-6-[6-[4-(piperidin-4-ylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nc2ccc(-c3ccc(N4CCC(NC5CCNCC5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C35H38FN9S/c1-3-29-34(43(2)35-42-33(30(20-37)46-35)23-4-8-26(36)9-5-23)45-22-25(7-11-32(45)41-29)24-6-10-31(39-21-24)44-18-14-28(15-19-44)40-27-12-16-38-17-13-27/h4-11,21-22,27-28,38,40H,3,12-19H2,1-2H3
InChIKeyRNORODBQFSVURH-UHFFFAOYSA-N
MW635.82 g/mol
LogP6.17
Rot. Bonds8

About 2-[[2-ethyl-6-[6-[4-(piperidin-4-ylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[2-ethyl-6-[6-[4-(piperidin-4-ylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 163239478) has the molecular formula C35H38FN9S and a molecular weight of 635.82 g/mol. Its IUPAC name is 2-[[2-ethyl-6-[6-[4-(piperidin-4-ylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[2-ethyl-6-[6-[4-(piperidin-4-ylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID163239478
Molecular FormulaC35H38FN9S
Molecular Weight635.82 g/mol
Exact Mass635.30
IUPAC Name2-[[2-ethyl-6-[6-[4-(piperidin-4-ylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nc2ccc(-c3ccc(N4CCC(NC5CCNCC5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C35H38FN9S/c1-3-29-34(43(2)35-42-33(30(20-37)46-35)23-4-8-26(36)9-5-23)45-22-25(7-11-32(45)41-29)24-6-10-31(39-21-24)44-18-14-28(15-19-44)40-27-12-16-38-17-13-27/h4-11,21-22,27-28,38,40H,3,12-19H2,1-2H3
InChIKeyRNORODBQFSVURH-UHFFFAOYSA-N
XLogP6.17
TPSA97.41 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.82
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[[2-ethyl-6-[6-[4-(piperidin-4-ylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-6-[6-[4-(piperidin-4-ylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[2-ethyl-6-[6-[4-(piperidin-4-ylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 163239478) is 2-[[2-ethyl-6-[6-[4-(piperidin-4-ylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[2-ethyl-6-[6-[4-(piperidin-4-ylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[2-ethyl-6-[6-[4-(piperidin-4-ylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nc2ccc(-c3ccc(N4CCC(NC5CCNCC5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 2-[[2-ethyl-6-[6-[4-(piperidin-4-ylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is RNORODBQFSVURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38FN9S/c1-3-29-34(43(2)35-42-33(30(20-37)46-35)23-4-8-26(36)9-5-23)45-22-25(7-11-32(45)41-29)24-6-10-31(39-21-24)44-18-14-28(15-19-44)40-27-12-16-38-17-13-27/h4-11,21-22,27-28,38,40H,3,12-19H2,1-2H3.
What are the key properties of 2-[[2-ethyl-6-[6-[4-(piperidin-4-ylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-[[2-ethyl-6-[6-[4-(piperidin-4-ylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 635.82 g/mol, XLogP of 6.17, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-6-[6-[4-(piperidin-4-ylamino)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 163239478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).