N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-8-carboxamide

C28H30FN5O — CID 23741416

IUPACN-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-8-carboxamide
SMILESNCc1cccc(CNC(=O)c2cccn3c(NC4CCCCC4)c(-c4ccc(F)cc4)nc23)c1
InChIInChI=1S/C28H30FN5O/c29-22-13-11-21(12-14-22)25-27(32-23-8-2-1-3-9-23)34-15-5-10-24(26(34)33-25)28(35)31-18-20-7-4-6-19(16-20)17-30/h4-7,10-16,23,32H,1-3,8-9,17-18,30H2,(H,31,35)
InChIKeyGIOCJRCSENMTOQ-UHFFFAOYSA-N
MW471.58 g/mol
LogP5.27
Rot. Bonds7

About N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-8-carboxamide

N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 23741416) has the molecular formula C28H30FN5O and a molecular weight of 471.58 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-8-carboxamide
PubChem CID23741416
Molecular FormulaC28H30FN5O
Molecular Weight471.58 g/mol
Exact Mass471.24
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-8-carboxamide
SMILESNCc1cccc(CNC(=O)c2cccn3c(NC4CCCCC4)c(-c4ccc(F)cc4)nc23)c1
InChIInChI=1S/C28H30FN5O/c29-22-13-11-21(12-14-22)25-27(32-23-8-2-1-3-9-23)34-15-5-10-24(26(34)33-25)28(35)31-18-20-7-4-6-19(16-20)17-30/h4-7,10-16,23,32H,1-3,8-9,17-18,30H2,(H,31,35)
InChIKeyGIOCJRCSENMTOQ-UHFFFAOYSA-N
XLogP5.27
TPSA84.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.58
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-8-carboxamide with MolForge

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Related Compounds

methyl 2-[[8-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 23796751
N-[[3-(aminomethyl)phenyl]methyl]-3-(2,6-dimethylanilino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide
CID 23878608
methyl 4-[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzoate
CID 23738412
N-[[3-(aminomethyl)phenyl]methyl]-2-(1,3-benzodioxol-5-yl)-3-(benzylamino)imidazo[1,2-a]pyridine-8-carboxamide
CID 23963571
methyl 2-[[8-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 23996618
N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide
CID 23880957
N-[[3-(aminomethyl)phenyl]methyl]-3-(benzylamino)-2-cyclohexylimidazo[1,2-a]pyridine-7-carboxamide
CID 23731533
6-N-cyclohexyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109095286
(2-bromo-4-pyridinyl)methanamine;N-[(2-bromo-4-pyridinyl)methyl]-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxamide;deuterio(fluoro)methane;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 161371376
N-cyclohexyl-2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine
CID 139222504
3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53010659
3-[[3-(tert-butylamino)-2-phenylimidazo[1,2-a]pyridine-8-carbonyl]amino]-3-cyclohexylpropanoic acid
CID 23883029

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-8-carboxamide (CID 23741416) is N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-8-carboxamide is NCc1cccc(CNC(=O)c2cccn3c(NC4CCCCC4)c(-c4ccc(F)cc4)nc23)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is GIOCJRCSENMTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O/c29-22-13-11-21(12-14-22)25-27(32-23-8-2-1-3-9-23)34-15-5-10-24(26(34)33-25)28(35)31-18-20-7-4-6-19(16-20)17-30/h4-7,10-16,23,32H,1-3,8-9,17-18,30H2,(H,31,35).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-8-carboxamide?
N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 5.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 23741416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).