3-fluoro-N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide

C17H18FN5O2S — CID 164642211

IUPAC3-fluoro-N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCN(Cc2cscn2)C[C@@H]1O)c1nc2ccccn2c1F
InChIInChI=1S/C17H18FN5O2S/c18-16-15(21-14-3-1-2-5-23(14)16)17(25)20-12-4-6-22(8-13(12)24)7-11-9-26-10-19-11/h1-3,5,9-10,12-13,24H,4,6-8H2,(H,20,25)/t12-,13-/m0/s1
InChIKeyICFCNSJQSAPMQN-STQMWFEESA-N
MW375.43 g/mol
LogP1.30
Rot. Bonds4

About 3-fluoro-N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide

3-fluoro-N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 164642211) has the molecular formula C17H18FN5O2S and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-fluoro-N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID164642211
Molecular FormulaC17H18FN5O2S
Molecular Weight375.43 g/mol
Exact Mass375.12
IUPAC Name3-fluoro-N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCN(Cc2cscn2)C[C@@H]1O)c1nc2ccccn2c1F
InChIInChI=1S/C17H18FN5O2S/c18-16-15(21-14-3-1-2-5-23(14)16)17(25)20-12-4-6-22(8-13(12)24)7-11-9-26-10-19-11/h1-3,5,9-10,12-13,24H,4,6-8H2,(H,20,25)/t12-,13-/m0/s1
InChIKeyICFCNSJQSAPMQN-STQMWFEESA-N
XLogP1.30
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 164642211) is 3-fluoro-N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(N[C@H]1CCN(Cc2cscn2)C[C@@H]1O)c1nc2ccccn2c1F.
What is the InChIKey of 3-fluoro-N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is ICFCNSJQSAPMQN-STQMWFEESA-N. The full InChI is InChI=1S/C17H18FN5O2S/c18-16-15(21-14-3-1-2-5-23(14)16)17(25)20-12-4-6-22(8-13(12)24)7-11-9-26-10-19-11/h1-3,5,9-10,12-13,24H,4,6-8H2,(H,20,25)/t12-,13-/m0/s1.
What are the key properties of 3-fluoro-N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide?
3-fluoro-N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 164642211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).