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

C18H19F2N5O2S — CID 58385929

IUPACN-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
SMILESCOc1ccc2c(-c3csc(C(=O)N[C@@H]4[C@@H](N)CCCC4(F)F)n3)cnn2c1
InChIInChI=1S/C18H19F2N5O2S/c1-27-10-4-5-14-11(7-22-25(14)8-10)13-9-28-17(23-13)16(26)24-15-12(21)3-2-6-18(15,19)20/h4-5,7-9,12,15H,2-3,6,21H2,1H3,(H,24,26)/t12-,15+/m0/s1
InChIKeyRZYSLVZCAGMZRL-SWLSCSKDSA-N
MW407.45 g/mol
LogP2.71
Rot. Bonds4

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

N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide (PubChem CID 58385929) has the molecular formula C18H19F2N5O2S and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
PubChem CID58385929
Molecular FormulaC18H19F2N5O2S
Molecular Weight407.45 g/mol
Exact Mass407.12
IUPAC NameN-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
SMILESCOc1ccc2c(-c3csc(C(=O)N[C@@H]4[C@@H](N)CCCC4(F)F)n3)cnn2c1
InChIInChI=1S/C18H19F2N5O2S/c1-27-10-4-5-14-11(7-22-25(14)8-10)13-9-28-17(23-13)16(26)24-15-12(21)3-2-6-18(15,19)20/h4-5,7-9,12,15H,2-3,6,21H2,1H3,(H,24,26)/t12-,15+/m0/s1
InChIKeyRZYSLVZCAGMZRL-SWLSCSKDSA-N
XLogP2.71
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide (CID 58385929) is N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide is COc1ccc2c(-c3csc(C(=O)N[C@@H]4[C@@H](N)CCCC4(F)F)n3)cnn2c1.
What is the InChIKey of N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is RZYSLVZCAGMZRL-SWLSCSKDSA-N. The full InChI is InChI=1S/C18H19F2N5O2S/c1-27-10-4-5-14-11(7-22-25(14)8-10)13-9-28-17(23-13)16(26)24-15-12(21)3-2-6-18(15,19)20/h4-5,7-9,12,15H,2-3,6,21H2,1H3,(H,24,26)/t12-,15+/m0/s1.
What are the key properties of N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide?
N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 58385929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).