N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[4-[3-(ethylamino)propylcarbamoyl]-3-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide

C34H30F4N6O3 — CID 144540978

IUPACN-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[4-[3-(ethylamino)propylcarbamoyl]-3-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCNCCCNC(=O)c1ccc(-c2ccn3c(C(=O)Nc4cc(C(=O)NCc5ccc(F)c(F)c5)ccc4F)cnc3c2)cc1F
InChIInChI=1S/C34H30F4N6O3/c1-2-39-11-3-12-40-33(46)24-7-5-21(15-27(24)37)22-10-13-44-30(19-41-31(44)17-22)34(47)43-29-16-23(6-9-26(29)36)32(45)42-18-20-4-8-25(35)28(38)14-20/h4-10,13-17,19,39H,2-3,11-12,18H2,1H3,(H,40,46)(H,42,45)(H,43,47)
InChIKeyAYPYFGUOGBBTIH-UHFFFAOYSA-N
MW646.65 g/mol
LogP5.47
Rot. Bonds12

About N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[4-[3-(ethylamino)propylcarbamoyl]-3-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[4-[3-(ethylamino)propylcarbamoyl]-3-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 144540978) has the molecular formula C34H30F4N6O3 and a molecular weight of 646.65 g/mol. Its IUPAC name is N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[4-[3-(ethylamino)propylcarbamoyl]-3-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[4-[3-(ethylamino)propylcarbamoyl]-3-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID144540978
Molecular FormulaC34H30F4N6O3
Molecular Weight646.65 g/mol
Exact Mass646.23
IUPAC NameN-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[4-[3-(ethylamino)propylcarbamoyl]-3-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCNCCCNC(=O)c1ccc(-c2ccn3c(C(=O)Nc4cc(C(=O)NCc5ccc(F)c(F)c5)ccc4F)cnc3c2)cc1F
InChIInChI=1S/C34H30F4N6O3/c1-2-39-11-3-12-40-33(46)24-7-5-21(15-27(24)37)22-10-13-44-30(19-41-31(44)17-22)34(47)43-29-16-23(6-9-26(29)36)32(45)42-18-20-4-8-25(35)28(38)14-20/h4-10,13-17,19,39H,2-3,11-12,18H2,1H3,(H,40,46)(H,42,45)(H,43,47)
InChIKeyAYPYFGUOGBBTIH-UHFFFAOYSA-N
XLogP5.47
TPSA116.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.65
LogP ≤ 55.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[3-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]carbamoyl]imidazo[1,2-a]pyridin-7-yl]-2-fluorobenzoate
CID 71283111
N-[5-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71283046
7-(4-carbamoyl-3-fluorophenyl)-N-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 123329306
N-[5-[2-(2,6-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 78051287
N-[5-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71291184
N-[3-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-1-methylpyrazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 140616543
N-[5-[2-[tert-butyl(methyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283528
N-[5-(benzylcarbamoyl)-2-fluorophenyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 123779171
3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide
CID 119506215
7-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71283095
3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119506214
N-[5-[(1,3-dihydroxy-1-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 78048580

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[4-[3-(ethylamino)propylcarbamoyl]-3-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[4-[3-(ethylamino)propylcarbamoyl]-3-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 144540978) is N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[4-[3-(ethylamino)propylcarbamoyl]-3-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[4-[3-(ethylamino)propylcarbamoyl]-3-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[4-[3-(ethylamino)propylcarbamoyl]-3-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide is CCNCCCNC(=O)c1ccc(-c2ccn3c(C(=O)Nc4cc(C(=O)NCc5ccc(F)c(F)c5)ccc4F)cnc3c2)cc1F.
What is the InChIKey of N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[4-[3-(ethylamino)propylcarbamoyl]-3-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is AYPYFGUOGBBTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F4N6O3/c1-2-39-11-3-12-40-33(46)24-7-5-21(15-27(24)37)22-10-13-44-30(19-41-31(44)17-22)34(47)43-29-16-23(6-9-26(29)36)32(45)42-18-20-4-8-25(35)28(38)14-20/h4-10,13-17,19,39H,2-3,11-12,18H2,1H3,(H,40,46)(H,42,45)(H,43,47).
What are the key properties of N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[4-[3-(ethylamino)propylcarbamoyl]-3-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[4-[3-(ethylamino)propylcarbamoyl]-3-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 646.65 g/mol, XLogP of 5.47, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[4-[3-(ethylamino)propylcarbamoyl]-3-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 144540978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).