6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-5-amine

C19H16ClFN6 — CID 11509223

IUPAC6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-5-amine
SMILESFc1ccc(Cn2cnc3cc(Cl)c(Nc4cc(C5CC5)[nH]n4)nc32)cc1
InChIInChI=1S/C19H16ClFN6/c20-14-7-16-19(27(10-22-16)9-11-1-5-13(21)6-2-11)24-18(14)23-17-8-15(25-26-17)12-3-4-12/h1-2,5-8,10,12H,3-4,9H2,(H2,23,24,25,26)
InChIKeyDMJCRLYIHGODHL-UHFFFAOYSA-N
MW382.83 g/mol
LogP4.62
Rot. Bonds5

About 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-5-amine

6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-5-amine (PubChem CID 11509223) has the molecular formula C19H16ClFN6 and a molecular weight of 382.83 g/mol. Its IUPAC name is 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-5-amine
PubChem CID11509223
Molecular FormulaC19H16ClFN6
Molecular Weight382.83 g/mol
Exact Mass382.11
IUPAC Name6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-5-amine
SMILESFc1ccc(Cn2cnc3cc(Cl)c(Nc4cc(C5CC5)[nH]n4)nc32)cc1
InChIInChI=1S/C19H16ClFN6/c20-14-7-16-19(27(10-22-16)9-11-1-5-13(21)6-2-11)24-18(14)23-17-8-15(25-26-17)12-3-4-12/h1-2,5-8,10,12H,3-4,9H2,(H2,23,24,25,26)
InChIKeyDMJCRLYIHGODHL-UHFFFAOYSA-N
XLogP4.62
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Gandotinib
CID 46213929
6-chloro-7-(4-(4-chlorobenzyl)piperazin-1-yl)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo(4,5-b)pyridine
CID 71454279
3-(5-Cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridin-5-amine
CID 25115964
NS13001
CID 44472568
CID 138105936
CID 138105936
N~2~-[(7-Chloro-1h-Benzimidazol-6-Yl)methyl]-N~4~-(5-Cyclopropyl-1h-Pyrazol-3-Yl)pyrimidine-2,4-Diamine
CID 89766097
7-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126649391
4-[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-N-methylpyridin-2-amine
CID 132166808
1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 132166959
5-Butyl-8-(4-chloro-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine
CID 135405211
6-N-[(4-chlorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 168268921
3-(4-chlorophenyl)-N-[3-(1H-imidazol-1-yl)propyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-5-amine (CID 11509223) is 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-5-amine is Fc1ccc(Cn2cnc3cc(Cl)c(Nc4cc(C5CC5)[nH]n4)nc32)cc1.
What is the InChIKey of 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-5-amine?
The InChIKey is DMJCRLYIHGODHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN6/c20-14-7-16-19(27(10-22-16)9-11-1-5-13(21)6-2-11)24-18(14)23-17-8-15(25-26-17)12-3-4-12/h1-2,5-8,10,12H,3-4,9H2,(H2,23,24,25,26).
What are the key properties of 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-5-amine?
6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-5-amine has a molecular weight of 382.83 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 11509223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).