5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)thiophene-2-carboxamide

C25H23FN4O2S — CID 72700277

IUPAC5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1ccn2ccnc2c1)c1ccc(C2CCN(C(=O)c3ccccc3F)CC2)s1
InChIInChI=1S/C25H23FN4O2S/c26-20-4-2-1-3-19(20)25(32)30-12-8-18(9-13-30)21-5-6-22(33-21)24(31)28-16-17-7-11-29-14-10-27-23(29)15-17/h1-7,10-11,14-15,18H,8-9,12-13,16H2,(H,28,31)
InChIKeyKCZRQIKOGYCRDT-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.48
Rot. Bonds5

About 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)thiophene-2-carboxamide

5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)thiophene-2-carboxamide (PubChem CID 72700277) has the molecular formula C25H23FN4O2S and a molecular weight of 462.55 g/mol. Its IUPAC name is 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)thiophene-2-carboxamide
PubChem CID72700277
Molecular FormulaC25H23FN4O2S
Molecular Weight462.55 g/mol
Exact Mass462.15
IUPAC Name5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1ccn2ccnc2c1)c1ccc(C2CCN(C(=O)c3ccccc3F)CC2)s1
InChIInChI=1S/C25H23FN4O2S/c26-20-4-2-1-3-19(20)25(32)30-12-8-18(9-13-30)21-5-6-22(33-21)24(31)28-16-17-7-11-29-14-10-27-23(29)15-17/h1-7,10-11,14-15,18H,8-9,12-13,16H2,(H,28,31)
InChIKeyKCZRQIKOGYCRDT-UHFFFAOYSA-N
XLogP4.48
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)thiophene-2-carboxamide
CID 72699775
4-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]piperidine-1-carboxylic acid
CID 90015798
N-[(4-chlorophenyl)methyl]-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019078
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019024
5-(4-bromophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 46467777
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
N-(imidazo[1,2-a]pyridin-7-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 119889546
N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70984745
4-bromo-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 71806882
1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 17019017

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)thiophene-2-carboxamide (CID 72700277) is 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)thiophene-2-carboxamide is O=C(NCc1ccn2ccnc2c1)c1ccc(C2CCN(C(=O)c3ccccc3F)CC2)s1.
What is the InChIKey of 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)thiophene-2-carboxamide?
The InChIKey is KCZRQIKOGYCRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2S/c26-20-4-2-1-3-19(20)25(32)30-12-8-18(9-13-30)21-5-6-22(33-21)24(31)28-16-17-7-11-29-14-10-27-23(29)15-17/h1-7,10-11,14-15,18H,8-9,12-13,16H2,(H,28,31).
What are the key properties of 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)thiophene-2-carboxamide?
5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)thiophene-2-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(imidazo[1,2-a]pyridin-7-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 72700277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).