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

C17H17F2N5OS — CID 44814957

IUPACN-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
SMILESN[C@H]1CCCC(F)(F)[C@@H]1NC(=O)c1nc(-c2cnn3ccccc23)cs1
InChIInChI=1S/C17H17F2N5OS/c18-17(19)6-3-4-11(20)14(17)23-15(25)16-22-12(9-26-16)10-8-21-24-7-2-1-5-13(10)24/h1-2,5,7-9,11,14H,3-4,6,20H2,(H,23,25)/t11-,14+/m0/s1
InChIKeyOSTNGCOPBWBRLH-SMDDNHRTSA-N
MW377.42 g/mol
LogP2.70
Rot. Bonds3

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

N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (PubChem CID 44814957) has the molecular formula C17H17F2N5OS and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
PubChem CID44814957
Molecular FormulaC17H17F2N5OS
Molecular Weight377.42 g/mol
Exact Mass377.11
IUPAC NameN-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
SMILESN[C@H]1CCCC(F)(F)[C@@H]1NC(=O)c1nc(-c2cnn3ccccc23)cs1
InChIInChI=1S/C17H17F2N5OS/c18-17(19)6-3-4-11(20)14(17)23-15(25)16-22-12(9-26-16)10-8-21-24-7-2-1-5-13(10)24/h1-2,5,7-9,11,14H,3-4,6,20H2,(H,23,25)/t11-,14+/m0/s1
InChIKeyOSTNGCOPBWBRLH-SMDDNHRTSA-N
XLogP2.70
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (CID 44814957) is N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-pyrazolo[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-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is N[C@H]1CCCC(F)(F)[C@@H]1NC(=O)c1nc(-c2cnn3ccccc23)cs1.
What is the InChIKey of N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The InChIKey is OSTNGCOPBWBRLH-SMDDNHRTSA-N. The full InChI is InChI=1S/C17H17F2N5OS/c18-17(19)6-3-4-11(20)14(17)23-15(25)16-22-12(9-26-16)10-8-21-24-7-2-1-5-13(10)24/h1-2,5,7-9,11,14H,3-4,6,20H2,(H,23,25)/t11-,14+/m0/s1.
What are the key properties of N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 44814957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).