N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-(6-chloropyrazolo[1,5-a]pyridin-3-yl)-5-methyl-1,3-thiazole-2-carboxamide

C18H18ClF2N5OS — CID 67349719

IUPACN-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-(6-chloropyrazolo[1,5-a]pyridin-3-yl)-5-methyl-1,3-thiazole-2-carboxamide
SMILESCc1sc(C(=O)N[C@@H]2[C@H](N)CCCC2(F)F)nc1-c1cnn2cc(Cl)ccc12
InChIInChI=1S/C18H18ClF2N5OS/c1-9-14(11-7-23-26-8-10(19)4-5-13(11)26)24-17(28-9)16(27)25-15-12(22)3-2-6-18(15,20)21/h4-5,7-8,12,15H,2-3,6,22H2,1H3,(H,25,27)/t12-,15-/m1/s1
InChIKeyLAPHJUMKAOGULU-IUODEOHRSA-N
MW425.89 g/mol
LogP3.66
Rot. Bonds3

About N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-(6-chloropyrazolo[1,5-a]pyridin-3-yl)-5-methyl-1,3-thiazole-2-carboxamide

N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-(6-chloropyrazolo[1,5-a]pyridin-3-yl)-5-methyl-1,3-thiazole-2-carboxamide (PubChem CID 67349719) has the molecular formula C18H18ClF2N5OS and a molecular weight of 425.89 g/mol. Its IUPAC name is N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-(6-chloropyrazolo[1,5-a]pyridin-3-yl)-5-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-(6-chloropyrazolo[1,5-a]pyridin-3-yl)-5-methyl-1,3-thiazole-2-carboxamide
PubChem CID67349719
Molecular FormulaC18H18ClF2N5OS
Molecular Weight425.89 g/mol
Exact Mass425.09
IUPAC NameN-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-(6-chloropyrazolo[1,5-a]pyridin-3-yl)-5-methyl-1,3-thiazole-2-carboxamide
SMILESCc1sc(C(=O)N[C@@H]2[C@H](N)CCCC2(F)F)nc1-c1cnn2cc(Cl)ccc12
InChIInChI=1S/C18H18ClF2N5OS/c1-9-14(11-7-23-26-8-10(19)4-5-13(11)26)24-17(28-9)16(27)25-15-12(22)3-2-6-18(15,20)21/h4-5,7-8,12,15H,2-3,6,22H2,1H3,(H,25,27)/t12-,15-/m1/s1
InChIKeyLAPHJUMKAOGULU-IUODEOHRSA-N
XLogP3.66
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.89
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-(6-chloropyrazolo[1,5-a]pyridin-3-yl)-5-methyl-1,3-thiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-(6-chloropyrazolo[1,5-a]pyridin-3-yl)-5-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-(6-chloropyrazolo[1,5-a]pyridin-3-yl)-5-methyl-1,3-thiazole-2-carboxamide (CID 67349719) is N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-(6-chloropyrazolo[1,5-a]pyridin-3-yl)-5-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-(6-chloropyrazolo[1,5-a]pyridin-3-yl)-5-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-(6-chloropyrazolo[1,5-a]pyridin-3-yl)-5-methyl-1,3-thiazole-2-carboxamide is Cc1sc(C(=O)N[C@@H]2[C@H](N)CCCC2(F)F)nc1-c1cnn2cc(Cl)ccc12.
What is the InChIKey of N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-(6-chloropyrazolo[1,5-a]pyridin-3-yl)-5-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is LAPHJUMKAOGULU-IUODEOHRSA-N. The full InChI is InChI=1S/C18H18ClF2N5OS/c1-9-14(11-7-23-26-8-10(19)4-5-13(11)26)24-17(28-9)16(27)25-15-12(22)3-2-6-18(15,20)21/h4-5,7-8,12,15H,2-3,6,22H2,1H3,(H,25,27)/t12-,15-/m1/s1.
What are the key properties of N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-(6-chloropyrazolo[1,5-a]pyridin-3-yl)-5-methyl-1,3-thiazole-2-carboxamide?
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-(6-chloropyrazolo[1,5-a]pyridin-3-yl)-5-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 425.89 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-(6-chloropyrazolo[1,5-a]pyridin-3-yl)-5-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 67349719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).