N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide

C18H12ClFN4O2 — CID 85471839

IUPACN-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide
SMILESCc1cnc2nc(-c3cc(NC(=O)c4ccc(F)o4)ccc3Cl)[nH]c2c1
InChIInChI=1S/C18H12ClFN4O2/c1-9-6-13-17(21-8-9)24-16(23-13)11-7-10(2-3-12(11)19)22-18(25)14-4-5-15(20)26-14/h2-8H,1H3,(H,22,25)(H,21,23,24)
InChIKeyGYCAGKWLWRTAEE-UHFFFAOYSA-N
MW370.77 g/mol
LogP4.57
Rot. Bonds3

About N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide

N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide (PubChem CID 85471839) has the molecular formula C18H12ClFN4O2 and a molecular weight of 370.77 g/mol. Its IUPAC name is N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide
PubChem CID85471839
Molecular FormulaC18H12ClFN4O2
Molecular Weight370.77 g/mol
Exact Mass370.06
IUPAC NameN-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide
SMILESCc1cnc2nc(-c3cc(NC(=O)c4ccc(F)o4)ccc3Cl)[nH]c2c1
InChIInChI=1S/C18H12ClFN4O2/c1-9-6-13-17(21-8-9)24-16(23-13)11-7-10(2-3-12(11)19)22-18(25)14-4-5-15(20)26-14/h2-8H,1H3,(H,22,25)(H,21,23,24)
InChIKeyGYCAGKWLWRTAEE-UHFFFAOYSA-N
XLogP4.57
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.77
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-chloro-5-[(5-fluorofuran-2-carbonyl)amino]phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-propan-2-ylcarbamic acid
CID 90411352
N-[3-[6-(3-aminopropanoylamino)-1H-imidazo[4,5-b]pyridin-2-yl]-4-chlorophenyl]-5-fluorofuran-2-carboxamide
CID 85472191
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 90403536
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 90403510
1-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methylurea
CID 90403490
propan-2-yl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate
CID 90404079
2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 90403629
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide
CID 90403734
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(dimethylamino)phenyl]acetamide
CID 85471704
2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide
CID 90403020
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 90403576
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 90403401

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide?
The IUPAC name of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide (CID 85471839) is N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide is Cc1cnc2nc(-c3cc(NC(=O)c4ccc(F)o4)ccc3Cl)[nH]c2c1.
What is the InChIKey of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide?
The InChIKey is GYCAGKWLWRTAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4O2/c1-9-6-13-17(21-8-9)24-16(23-13)11-7-10(2-3-12(11)19)22-18(25)14-4-5-15(20)26-14/h2-8H,1H3,(H,22,25)(H,21,23,24).
What are the key properties of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide?
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide has a molecular weight of 370.77 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide is sourced from PubChem (CID 85471839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).