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

C20H20F3N5OS — CID 67375825

IUPACN-(6-amino-2,2-difluorocyclohexyl)-4-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-prop-1-en-2-yl-1,3-thiazole-2-carboxamide
SMILESC=C(C)c1sc(C(=O)NC2C(N)CCCC2(F)F)nc1-c1cnn2cc(F)ccc12
InChIInChI=1S/C20H20F3N5OS/c1-10(2)16-15(12-8-25-28-9-11(21)5-6-14(12)28)26-19(30-16)18(29)27-17-13(24)4-3-7-20(17,22)23/h5-6,8-9,13,17H,1,3-4,7,24H2,2H3,(H,27,29)
InChIKeySDUZOCBISSTQOG-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.87
Rot. Bonds4

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

N-(6-amino-2,2-difluorocyclohexyl)-4-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-prop-1-en-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 67375825) has the molecular formula C20H20F3N5OS and a molecular weight of 435.48 g/mol. Its IUPAC name is N-(6-amino-2,2-difluorocyclohexyl)-4-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-prop-1-en-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,2-difluorocyclohexyl)-4-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-prop-1-en-2-yl-1,3-thiazole-2-carboxamide
PubChem CID67375825
Molecular FormulaC20H20F3N5OS
Molecular Weight435.48 g/mol
Exact Mass435.13
IUPAC NameN-(6-amino-2,2-difluorocyclohexyl)-4-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-prop-1-en-2-yl-1,3-thiazole-2-carboxamide
SMILESC=C(C)c1sc(C(=O)NC2C(N)CCCC2(F)F)nc1-c1cnn2cc(F)ccc12
InChIInChI=1S/C20H20F3N5OS/c1-10(2)16-15(12-8-25-28-9-11(21)5-6-14(12)28)26-19(30-16)18(29)27-17-13(24)4-3-7-20(17,22)23/h5-6,8-9,13,17H,1,3-4,7,24H2,2H3,(H,27,29)
InChIKeySDUZOCBISSTQOG-UHFFFAOYSA-N
XLogP3.87
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(6-amino-2,2-difluorocyclohexyl)-4-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-prop-1-en-2-yl-1,3-thiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-prop-1-en-2-yl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 58385932
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
N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-(6-iodopyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
CID 75075568
N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 58385870
2-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-1-[5-chloro-4-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-2-yl]ethanone
CID 58385987
N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
CID 75075572
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-(2-cyclopropylethynyl)-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 58385875
2-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-1-[4-(6-bromopyrazolo[1,5-a]pyridin-3-yl)-5-methyl-1,3-thiazol-2-yl]ethanone
CID 58386015
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide
CID 58386003
N-(6-amino-2,2-difluorocyclohexyl)-4-(5-aminopyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
CID 91441255
N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(5-chloro-4-fluoropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
CID 67352973
tert-butyl N-[2-[(5-bromo-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carbonyl)amino]-3,3-difluorocyclohexyl]carbamate
CID 162559287

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,2-difluorocyclohexyl)-4-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-prop-1-en-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(6-amino-2,2-difluorocyclohexyl)-4-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-prop-1-en-2-yl-1,3-thiazole-2-carboxamide (CID 67375825) is N-(6-amino-2,2-difluorocyclohexyl)-4-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-prop-1-en-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(6-amino-2,2-difluorocyclohexyl)-4-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-prop-1-en-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(6-amino-2,2-difluorocyclohexyl)-4-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-prop-1-en-2-yl-1,3-thiazole-2-carboxamide is C=C(C)c1sc(C(=O)NC2C(N)CCCC2(F)F)nc1-c1cnn2cc(F)ccc12.
What is the InChIKey of N-(6-amino-2,2-difluorocyclohexyl)-4-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-prop-1-en-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is SDUZOCBISSTQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5OS/c1-10(2)16-15(12-8-25-28-9-11(21)5-6-14(12)28)26-19(30-16)18(29)27-17-13(24)4-3-7-20(17,22)23/h5-6,8-9,13,17H,1,3-4,7,24H2,2H3,(H,27,29).
What are the key properties of N-(6-amino-2,2-difluorocyclohexyl)-4-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-prop-1-en-2-yl-1,3-thiazole-2-carboxamide?
N-(6-amino-2,2-difluorocyclohexyl)-4-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-prop-1-en-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 3.87, 4 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)-4-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-prop-1-en-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 67375825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).