3-(cyclopropylmethyl)-5-(5-phenyl-2H-triazol-4-yl)imidazo[4,5-b]pyridin-2-amine

C18H17N7 — CID 87616891

IUPAC3-(cyclopropylmethyl)-5-(5-phenyl-2H-triazol-4-yl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2ccc(-c3n[nH]nc3-c3ccccc3)nc2n1CC1CC1
InChIInChI=1S/C18H17N7/c19-18-21-14-9-8-13(20-17(14)25(18)10-11-6-7-11)16-15(22-24-23-16)12-4-2-1-3-5-12/h1-5,8-9,11H,6-7,10H2,(H2,19,21)(H,22,23,24)
InChIKeyYNKHRRQEYRGTJE-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.88
Rot. Bonds4

About 3-(cyclopropylmethyl)-5-(5-phenyl-2H-triazol-4-yl)imidazo[4,5-b]pyridin-2-amine

3-(cyclopropylmethyl)-5-(5-phenyl-2H-triazol-4-yl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 87616891) has the molecular formula C18H17N7 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-5-(5-phenyl-2H-triazol-4-yl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-5-(5-phenyl-2H-triazol-4-yl)imidazo[4,5-b]pyridin-2-amine
PubChem CID87616891
Molecular FormulaC18H17N7
Molecular Weight331.38 g/mol
Exact Mass331.15
IUPAC Name3-(cyclopropylmethyl)-5-(5-phenyl-2H-triazol-4-yl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2ccc(-c3n[nH]nc3-c3ccccc3)nc2n1CC1CC1
InChIInChI=1S/C18H17N7/c19-18-21-14-9-8-13(20-17(14)25(18)10-11-6-7-11)16-15(22-24-23-16)12-4-2-1-3-5-12/h1-5,8-9,11H,6-7,10H2,(H2,19,21)(H,22,23,24)
InChIKeyYNKHRRQEYRGTJE-UHFFFAOYSA-N
XLogP2.88
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 87616219
5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine
CID 87607413
3-(cyclohexylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289426
3-(cyclohexylmethyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322201
4,5-diphenyl-2H-triazole
CID 613500
2-amino-6-bromo-3-(cyclopropylmethyl)quinazolin-4-one
CID 67981761
5-[2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine
CID 11705579
1-(oxan-4-ylmethyl)benzimidazol-2-amine
CID 63712640
4-[3-(2-cyclopropylethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335920
3-[(1-ethylpyrrolidin-3-yl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81138771
methanesulfonic acid;3-(2-methylpropyl)-5-(3-phenyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 87616634
5-methyl-3-[(2-methylcyclopentyl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 107419626

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-5-(5-phenyl-2H-triazol-4-yl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(cyclopropylmethyl)-5-(5-phenyl-2H-triazol-4-yl)imidazo[4,5-b]pyridin-2-amine (CID 87616891) is 3-(cyclopropylmethyl)-5-(5-phenyl-2H-triazol-4-yl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(cyclopropylmethyl)-5-(5-phenyl-2H-triazol-4-yl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(cyclopropylmethyl)-5-(5-phenyl-2H-triazol-4-yl)imidazo[4,5-b]pyridin-2-amine is Nc1nc2ccc(-c3n[nH]nc3-c3ccccc3)nc2n1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-5-(5-phenyl-2H-triazol-4-yl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is YNKHRRQEYRGTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7/c19-18-21-14-9-8-13(20-17(14)25(18)10-11-6-7-11)16-15(22-24-23-16)12-4-2-1-3-5-12/h1-5,8-9,11H,6-7,10H2,(H2,19,21)(H,22,23,24).
What are the key properties of 3-(cyclopropylmethyl)-5-(5-phenyl-2H-triazol-4-yl)imidazo[4,5-b]pyridin-2-amine?
3-(cyclopropylmethyl)-5-(5-phenyl-2H-triazol-4-yl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 331.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-5-(5-phenyl-2H-triazol-4-yl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 87616891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).