4-amino-1-[[6-(cyclopropylmethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one

C17H17F3N6O — CID 70689851

IUPAC4-amino-1-[[6-(cyclopropylmethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESNc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1ccc(NCC2CC2)nc1
InChIInChI=1S/C17H17F3N6O/c18-17(19,20)12-5-11-14(15(21)24-12)25-16(27)26(11)8-10-3-4-13(23-7-10)22-6-9-1-2-9/h3-5,7,9H,1-2,6,8H2,(H2,21,24)(H,22,23)(H,25,27)
InChIKeyJKAXKITVVFSIQF-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.59
Rot. Bonds5

About 4-amino-1-[[6-(cyclopropylmethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one

4-amino-1-[[6-(cyclopropylmethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 70689851) has the molecular formula C17H17F3N6O and a molecular weight of 378.36 g/mol. Its IUPAC name is 4-amino-1-[[6-(cyclopropylmethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[[6-(cyclopropylmethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID70689851
Molecular FormulaC17H17F3N6O
Molecular Weight378.36 g/mol
Exact Mass378.14
IUPAC Name4-amino-1-[[6-(cyclopropylmethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESNc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1ccc(NCC2CC2)nc1
InChIInChI=1S/C17H17F3N6O/c18-17(19,20)12-5-11-14(15(21)24-12)25-16(27)26(11)8-10-3-4-13(23-7-10)22-6-9-1-2-9/h3-5,7,9H,1-2,6,8H2,(H2,21,24)(H,22,23)(H,25,27)
InChIKeyJKAXKITVVFSIQF-UHFFFAOYSA-N
XLogP2.59
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-1-[[6-(cyclopropylmethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[[6-(cyclopropylmethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-[[6-(cyclopropylmethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (CID 70689851) is 4-amino-1-[[6-(cyclopropylmethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-[[6-(cyclopropylmethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-[[6-(cyclopropylmethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is Nc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1ccc(NCC2CC2)nc1.
What is the InChIKey of 4-amino-1-[[6-(cyclopropylmethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is JKAXKITVVFSIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O/c18-17(19,20)12-5-11-14(15(21)24-12)25-16(27)26(11)8-10-3-4-13(23-7-10)22-6-9-1-2-9/h3-5,7,9H,1-2,6,8H2,(H2,21,24)(H,22,23)(H,25,27).
What are the key properties of 4-amino-1-[[6-(cyclopropylmethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-1-[[6-(cyclopropylmethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 378.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[6-(cyclopropylmethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 70689851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).