5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)thiophene-2-carboxamide

C24H22FN5O2S — CID 72699775

IUPAC5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1cn2ccnc2cn1)c1ccc(C2CCN(C(=O)c3ccccc3F)CC2)s1
InChIInChI=1S/C24H22FN5O2S/c25-19-4-2-1-3-18(19)24(32)29-10-7-16(8-11-29)20-5-6-21(33-20)23(31)28-13-17-15-30-12-9-26-22(30)14-27-17/h1-6,9,12,14-16H,7-8,10-11,13H2,(H,28,31)
InChIKeyAPJHBPHCAKWNBI-UHFFFAOYSA-N
MW463.54 g/mol
LogP3.88
Rot. Bonds5

About 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)thiophene-2-carboxamide

5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)thiophene-2-carboxamide (PubChem CID 72699775) has the molecular formula C24H22FN5O2S and a molecular weight of 463.54 g/mol. Its IUPAC name is 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)thiophene-2-carboxamide
PubChem CID72699775
Molecular FormulaC24H22FN5O2S
Molecular Weight463.54 g/mol
Exact Mass463.15
IUPAC Name5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1cn2ccnc2cn1)c1ccc(C2CCN(C(=O)c3ccccc3F)CC2)s1
InChIInChI=1S/C24H22FN5O2S/c25-19-4-2-1-3-18(19)24(32)29-10-7-16(8-11-29)20-5-6-21(33-20)23(31)28-13-17-15-30-12-9-26-22(30)14-27-17/h1-6,9,12,14-16H,7-8,10-11,13H2,(H,28,31)
InChIKeyAPJHBPHCAKWNBI-UHFFFAOYSA-N
XLogP3.88
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)thiophene-2-carboxamide
CID 72700277
4-(1-tert-butylpiperidin-4-yl)-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)benzamide
CID 90014548
5-(4-bromophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 46467777
N-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-piperidin-4-ylbenzamide
CID 86701998
N-(imidazo[1,2-a]pyridin-7-ylmethyl)-5-piperidin-4-ylthiophene-2-carboxamide
CID 86701970
N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70984745
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
N-[[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 71842190
N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70983749
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
2-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42867314
N-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 71841902

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)thiophene-2-carboxamide (CID 72699775) is 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)thiophene-2-carboxamide is O=C(NCc1cn2ccnc2cn1)c1ccc(C2CCN(C(=O)c3ccccc3F)CC2)s1.
What is the InChIKey of 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)thiophene-2-carboxamide?
The InChIKey is APJHBPHCAKWNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2S/c25-19-4-2-1-3-18(19)24(32)29-10-7-16(8-11-29)20-5-6-21(33-20)23(31)28-13-17-15-30-12-9-26-22(30)14-27-17/h1-6,9,12,14-16H,7-8,10-11,13H2,(H,28,31).
What are the key properties of 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)thiophene-2-carboxamide?
5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)thiophene-2-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 72699775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).