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

C21H22F2N6O2S — CID 126700888

IUPACN-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide
SMILESN[C@@H]1CCCC(F)(F)[C@@H]1NC(=O)c1nc(-c2ccc3nc(NC(=O)C4CC4)cn3c2)cs1
InChIInChI=1S/C21H22F2N6O2S/c22-21(23)7-1-2-13(24)17(21)28-19(31)20-25-14(10-32-20)12-5-6-16-26-15(9-29(16)8-12)27-18(30)11-3-4-11/h5-6,8-11,13,17H,1-4,7,24H2,(H,27,30)(H,28,31)/t13-,17-/m1/s1
InChIKeyNSMRYZPVQATUJT-CXAGYDPISA-N
MW460.51 g/mol
LogP3.05
Rot. Bonds5

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

N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide (PubChem CID 126700888) has the molecular formula C21H22F2N6O2S and a molecular weight of 460.51 g/mol. Its IUPAC name is N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide
PubChem CID126700888
Molecular FormulaC21H22F2N6O2S
Molecular Weight460.51 g/mol
Exact Mass460.15
IUPAC NameN-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide
SMILESN[C@@H]1CCCC(F)(F)[C@@H]1NC(=O)c1nc(-c2ccc3nc(NC(=O)C4CC4)cn3c2)cs1
InChIInChI=1S/C21H22F2N6O2S/c22-21(23)7-1-2-13(24)17(21)28-19(31)20-25-14(10-32-20)12-5-6-16-26-15(9-29(16)8-12)27-18(30)11-3-4-11/h5-6,8-11,13,17H,1-4,7,24H2,(H,27,30)(H,28,31)/t13-,17-/m1/s1
InChIKeyNSMRYZPVQATUJT-CXAGYDPISA-N
XLogP3.05
TPSA114.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-N-[(3S)-oxolan-3-yl]-1,3-thiazole-2-carboxamide
CID 118363450
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-cyanopyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
CID 44815291
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
N-[6-(6-amino-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 155082189
4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(oxan-3-yl)-1,3-thiazole-2-carboxamide
CID 118357079
N-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)cyclopropanecarboxamide
CID 58158532
N-[6-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686210
N-[6-(3,4-difluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 155081984
N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686082
N-[6-[2-fluoro-6-(hydroxymethyl)-4-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686347
N-[6-[3-chloro-6-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686220

Frequently Asked Questions

What is the IUPAC name of N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide (CID 126700888) is N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide is N[C@@H]1CCCC(F)(F)[C@@H]1NC(=O)c1nc(-c2ccc3nc(NC(=O)C4CC4)cn3c2)cs1.
What is the InChIKey of N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide?
The InChIKey is NSMRYZPVQATUJT-CXAGYDPISA-N. The full InChI is InChI=1S/C21H22F2N6O2S/c22-21(23)7-1-2-13(24)17(21)28-19(31)20-25-14(10-32-20)12-5-6-16-26-15(9-29(16)8-12)27-18(30)11-3-4-11/h5-6,8-11,13,17H,1-4,7,24H2,(H,27,30)(H,28,31)/t13-,17-/m1/s1.
What are the key properties of N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide?
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 460.51 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 126700888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).