N-(2,2-diphenyl-3-piperidin-1-ylpropyl)-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide

C35H35FN6OS2 — CID 24957735

IUPACN-(2,2-diphenyl-3-piperidin-1-ylpropyl)-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
SMILESCc1ccnc(Nc2ncc(Sc3ccnc(C(=O)NCC(CN4CCCCC4)(c4ccccc4)c4ccccc4)c3F)s2)c1
InChIInChI=1S/C35H35FN6OS2/c1-25-15-17-37-29(21-25)41-34-39-22-30(45-34)44-28-16-18-38-32(31(28)36)33(43)40-23-35(26-11-5-2-6-12-26,27-13-7-3-8-14-27)24-42-19-9-4-10-20-42/h2-3,5-8,11-18,21-22H,4,9-10,19-20,23-24H2,1H3,(H,40,43)(H,37,39,41)
InChIKeyZINMDSRBNMBWOP-UHFFFAOYSA-N
MW638.84 g/mol
LogP7.48
Rot. Bonds11

About N-(2,2-diphenyl-3-piperidin-1-ylpropyl)-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide

N-(2,2-diphenyl-3-piperidin-1-ylpropyl)-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide (PubChem CID 24957735) has the molecular formula C35H35FN6OS2 and a molecular weight of 638.84 g/mol. Its IUPAC name is N-(2,2-diphenyl-3-piperidin-1-ylpropyl)-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-diphenyl-3-piperidin-1-ylpropyl)-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
PubChem CID24957735
Molecular FormulaC35H35FN6OS2
Molecular Weight638.84 g/mol
Exact Mass638.23
IUPAC NameN-(2,2-diphenyl-3-piperidin-1-ylpropyl)-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
SMILESCc1ccnc(Nc2ncc(Sc3ccnc(C(=O)NCC(CN4CCCCC4)(c4ccccc4)c4ccccc4)c3F)s2)c1
InChIInChI=1S/C35H35FN6OS2/c1-25-15-17-37-29(21-25)41-34-39-22-30(45-34)44-28-16-18-38-32(31(28)36)33(43)40-23-35(26-11-5-2-6-12-26,27-13-7-3-8-14-27)24-42-19-9-4-10-20-42/h2-3,5-8,11-18,21-22H,4,9-10,19-20,23-24H2,1H3,(H,40,43)(H,37,39,41)
InChIKeyZINMDSRBNMBWOP-UHFFFAOYSA-N
XLogP7.48
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.84
LogP ≤ 57.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(2,2-diphenyl-3-piperidin-1-ylpropyl)-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenyl-3-piperidin-1-ylpropyl)-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?
The IUPAC name of N-(2,2-diphenyl-3-piperidin-1-ylpropyl)-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide (CID 24957735) is N-(2,2-diphenyl-3-piperidin-1-ylpropyl)-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,2-diphenyl-3-piperidin-1-ylpropyl)-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?
The canonical SMILES for N-(2,2-diphenyl-3-piperidin-1-ylpropyl)-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide is Cc1ccnc(Nc2ncc(Sc3ccnc(C(=O)NCC(CN4CCCCC4)(c4ccccc4)c4ccccc4)c3F)s2)c1.
What is the InChIKey of N-(2,2-diphenyl-3-piperidin-1-ylpropyl)-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?
The InChIKey is ZINMDSRBNMBWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35FN6OS2/c1-25-15-17-37-29(21-25)41-34-39-22-30(45-34)44-28-16-18-38-32(31(28)36)33(43)40-23-35(26-11-5-2-6-12-26,27-13-7-3-8-14-27)24-42-19-9-4-10-20-42/h2-3,5-8,11-18,21-22H,4,9-10,19-20,23-24H2,1H3,(H,40,43)(H,37,39,41).
What are the key properties of N-(2,2-diphenyl-3-piperidin-1-ylpropyl)-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?
N-(2,2-diphenyl-3-piperidin-1-ylpropyl)-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide has a molecular weight of 638.84 g/mol, XLogP of 7.48, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenyl-3-piperidin-1-ylpropyl)-3-fluoro-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide is sourced from PubChem (CID 24957735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).