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

C17H18F2N6OS — CID 91441255

IUPACN-(6-amino-2,2-difluorocyclohexyl)-4-(5-aminopyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
SMILESNc1ccn2ncc(-c3csc(C(=O)NC4C(N)CCCC4(F)F)n3)c2c1
InChIInChI=1S/C17H18F2N6OS/c18-17(19)4-1-2-11(21)14(17)24-15(26)16-23-12(8-27-16)10-7-22-25-5-3-9(20)6-13(10)25/h3,5-8,11,14H,1-2,4,20-21H2,(H,24,26)
InChIKeyHIYCJSPKUAVRNK-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.28
Rot. Bonds3

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

N-(6-amino-2,2-difluorocyclohexyl)-4-(5-aminopyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide (PubChem CID 91441255) has the molecular formula C17H18F2N6OS and a molecular weight of 392.44 g/mol. Its IUPAC name is N-(6-amino-2,2-difluorocyclohexyl)-4-(5-aminopyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,2-difluorocyclohexyl)-4-(5-aminopyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
PubChem CID91441255
Molecular FormulaC17H18F2N6OS
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC NameN-(6-amino-2,2-difluorocyclohexyl)-4-(5-aminopyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
SMILESNc1ccn2ncc(-c3csc(C(=O)NC4C(N)CCCC4(F)F)n3)c2c1
InChIInChI=1S/C17H18F2N6OS/c18-17(19)4-1-2-11(21)14(17)24-15(26)16-23-12(8-27-16)10-7-22-25-5-3-9(20)6-13(10)25/h3,5-8,11,14H,1-2,4,20-21H2,(H,24,26)
InChIKeyHIYCJSPKUAVRNK-UHFFFAOYSA-N
XLogP2.28
TPSA111.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,2-difluorocyclohexyl)-4-(5-aminopyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(6-amino-2,2-difluorocyclohexyl)-4-(5-aminopyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide (CID 91441255) is N-(6-amino-2,2-difluorocyclohexyl)-4-(5-aminopyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(6-amino-2,2-difluorocyclohexyl)-4-(5-aminopyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(6-amino-2,2-difluorocyclohexyl)-4-(5-aminopyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide is Nc1ccn2ncc(-c3csc(C(=O)NC4C(N)CCCC4(F)F)n3)c2c1.
What is the InChIKey of N-(6-amino-2,2-difluorocyclohexyl)-4-(5-aminopyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is HIYCJSPKUAVRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N6OS/c18-17(19)4-1-2-11(21)14(17)24-15(26)16-23-12(8-27-16)10-7-22-25-5-3-9(20)6-13(10)25/h3,5-8,11,14H,1-2,4,20-21H2,(H,24,26).
What are the key properties of N-(6-amino-2,2-difluorocyclohexyl)-4-(5-aminopyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide?
N-(6-amino-2,2-difluorocyclohexyl)-4-(5-aminopyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,2-difluorocyclohexyl)-4-(5-aminopyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 91441255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).