N-[(3S,4S)-4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide

C23H20FN5O2S — CID 171627909

IUPACN-[(3S,4S)-4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1cccc(F)c1)c1cncs1
InChIInChI=1S/C23H20FN5O2S/c24-16-4-1-3-15(9-16)17-6-8-28(12-19(17)27-22(30)21-11-26-14-32-21)23(31)18-5-2-7-29-13-25-10-20(18)29/h1-5,7,9-11,13-14,17,19H,6,8,12H2,(H,27,30)/t17-,19+/m0/s1
InChIKeyDAIDIBLETXFFHC-PKOBYXMFSA-N
MW449.51 g/mol
LogP3.36
Rot. Bonds4

About N-[(3S,4S)-4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide

N-[(3S,4S)-4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 171627909) has the molecular formula C23H20FN5O2S and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[(3S,4S)-4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID171627909
Molecular FormulaC23H20FN5O2S
Molecular Weight449.51 g/mol
Exact Mass449.13
IUPAC NameN-[(3S,4S)-4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1cccc(F)c1)c1cncs1
InChIInChI=1S/C23H20FN5O2S/c24-16-4-1-3-15(9-16)17-6-8-28(12-19(17)27-22(30)21-11-26-14-32-21)23(31)18-5-2-7-29-13-25-10-20(18)29/h1-5,7,9-11,13-14,17,19H,6,8,12H2,(H,27,30)/t17-,19+/m0/s1
InChIKeyDAIDIBLETXFFHC-PKOBYXMFSA-N
XLogP3.36
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3S,4S)-4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide (CID 171627909) is N-[(3S,4S)-4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide is O=C(N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1cccc(F)c1)c1cncs1.
What is the InChIKey of N-[(3S,4S)-4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is DAIDIBLETXFFHC-PKOBYXMFSA-N. The full InChI is InChI=1S/C23H20FN5O2S/c24-16-4-1-3-15(9-16)17-6-8-28(12-19(17)27-22(30)21-11-26-14-32-21)23(31)18-5-2-7-29-13-25-10-20(18)29/h1-5,7,9-11,13-14,17,19H,6,8,12H2,(H,27,30)/t17-,19+/m0/s1.
What are the key properties of N-[(3S,4S)-4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide?
N-[(3S,4S)-4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 171627909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).