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

C18H18ClF2N5OS — CID 75075572

IUPACN-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
SMILESCc1ccn2ncc(-c3nc(C(=O)NC4C(N)CCCC4(F)F)sc3Cl)c2c1
InChIInChI=1S/C18H18ClF2N5OS/c1-9-4-6-26-12(7-9)10(8-23-26)13-15(19)28-17(24-13)16(27)25-14-11(22)3-2-5-18(14,20)21/h4,6-8,11,14H,2-3,5,22H2,1H3,(H,25,27)
InChIKeyMZEIMZCWBZMULP-UHFFFAOYSA-N
MW425.89 g/mol
LogP3.66
Rot. Bonds3

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

N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide (PubChem CID 75075572) has the molecular formula C18H18ClF2N5OS and a molecular weight of 425.89 g/mol. Its IUPAC name is N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
PubChem CID75075572
Molecular FormulaC18H18ClF2N5OS
Molecular Weight425.89 g/mol
Exact Mass425.09
IUPAC NameN-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
SMILESCc1ccn2ncc(-c3nc(C(=O)NC4C(N)CCCC4(F)F)sc3Cl)c2c1
InChIInChI=1S/C18H18ClF2N5OS/c1-9-4-6-26-12(7-9)10(8-23-26)13-15(19)28-17(24-13)16(27)25-14-11(22)3-2-5-18(14,20)21/h4,6-8,11,14H,2-3,5,22H2,1H3,(H,25,27)
InChIKeyMZEIMZCWBZMULP-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide (CID 75075572) is N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide is Cc1ccn2ncc(-c3nc(C(=O)NC4C(N)CCCC4(F)F)sc3Cl)c2c1.
What is the InChIKey of N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is MZEIMZCWBZMULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF2N5OS/c1-9-4-6-26-12(7-9)10(8-23-26)13-15(19)28-17(24-13)16(27)25-14-11(22)3-2-5-18(14,20)21/h4,6-8,11,14H,2-3,5,22H2,1H3,(H,25,27).
What are the key properties of N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide?
N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-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-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 75075572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).