N-[(4-fluorophenyl)methyl]-4,5-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]furan-2-carboxamide

C24H25FN4O2 — CID 18733577

IUPACN-[(4-fluorophenyl)methyl]-4,5-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]furan-2-carboxamide
SMILESCCCn1c(CN(Cc2ccc(F)cc2)C(=O)c2cc(C)c(C)o2)nc2cccnc21
InChIInChI=1S/C24H25FN4O2/c1-4-12-29-22(27-20-6-5-11-26-23(20)29)15-28(14-18-7-9-19(25)10-8-18)24(30)21-13-16(2)17(3)31-21/h5-11,13H,4,12,14-15H2,1-3H3
InChIKeyMVNSENYLGCKZGN-UHFFFAOYSA-N
MW420.49 g/mol
LogP5.03
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-4,5-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]furan-2-carboxamide

N-[(4-fluorophenyl)methyl]-4,5-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]furan-2-carboxamide (PubChem CID 18733577) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4,5-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4,5-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]furan-2-carboxamide
PubChem CID18733577
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC NameN-[(4-fluorophenyl)methyl]-4,5-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]furan-2-carboxamide
SMILESCCCn1c(CN(Cc2ccc(F)cc2)C(=O)c2cc(C)c(C)o2)nc2cccnc21
InChIInChI=1S/C24H25FN4O2/c1-4-12-29-22(27-20-6-5-11-26-23(20)29)15-28(14-18-7-9-19(25)10-8-18)24(30)21-13-16(2)17(3)31-21/h5-11,13H,4,12,14-15H2,1-3H3
InChIKeyMVNSENYLGCKZGN-UHFFFAOYSA-N
XLogP5.03
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.49
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18733180
3-bromo-4-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18732890
3-fluoro-2-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18733085
3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18732767
4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18734650
2,4-dimethyl-N-[2-(3-propylimidazo[4,5-b]pyridin-2-yl)ethyl]benzamide
CID 71842715
N-pentyl-4-propan-2-yloxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18733183
2-ethyl-3-propylimidazo[4,5-b]pyridine
CID 20777190
3-ethyl-2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 117165475
3-[2-[(3-methylphenyl)methylamino]ethoxy]-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18734610
N-benzyl-3,4-difluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734329
2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dipropylacetamide
CID 14390399

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4,5-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4,5-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]furan-2-carboxamide (CID 18733577) is N-[(4-fluorophenyl)methyl]-4,5-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4,5-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4,5-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]furan-2-carboxamide is CCCn1c(CN(Cc2ccc(F)cc2)C(=O)c2cc(C)c(C)o2)nc2cccnc21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4,5-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]furan-2-carboxamide?
The InChIKey is MVNSENYLGCKZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-4-12-29-22(27-20-6-5-11-26-23(20)29)15-28(14-18-7-9-19(25)10-8-18)24(30)21-13-16(2)17(3)31-21/h5-11,13H,4,12,14-15H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-4,5-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]furan-2-carboxamide?
N-[(4-fluorophenyl)methyl]-4,5-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]furan-2-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4,5-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 18733577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).