1-[3-(cyclopentylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-one

C20H30N6O — CID 45252367

IUPAC1-[3-(cyclopentylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-one
SMILESCc1nc(C)n(CC(C)C(=O)N2CCc3[nH]nc(CC4CCCC4)c3C2)n1
InChIInChI=1S/C20H30N6O/c1-13(11-26-15(3)21-14(2)24-26)20(27)25-9-8-18-17(12-25)19(23-22-18)10-16-6-4-5-7-16/h13,16H,4-12H2,1-3H3,(H,22,23)
InChIKeyBWWVOLAPLKZAKA-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.57
Rot. Bonds5

About 1-[3-(cyclopentylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-one

1-[3-(cyclopentylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-one (PubChem CID 45252367) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[3-(cyclopentylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(cyclopentylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-one
PubChem CID45252367
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name1-[3-(cyclopentylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-one
SMILESCc1nc(C)n(CC(C)C(=O)N2CCc3[nH]nc(CC4CCCC4)c3C2)n1
InChIInChI=1S/C20H30N6O/c1-13(11-26-15(3)21-14(2)24-26)20(27)25-9-8-18-17(12-25)19(23-22-18)10-16-6-4-5-7-16/h13,16H,4-12H2,1-3H3,(H,22,23)
InChIKeyBWWVOLAPLKZAKA-UHFFFAOYSA-N
XLogP2.57
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(cyclopentylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-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 1-[3-(cyclopentylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-[3-(cyclopentylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-one (CID 45252367) is 1-[3-(cyclopentylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(cyclopentylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(cyclopentylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-one is Cc1nc(C)n(CC(C)C(=O)N2CCc3[nH]nc(CC4CCCC4)c3C2)n1.
What is the InChIKey of 1-[3-(cyclopentylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-one?
The InChIKey is BWWVOLAPLKZAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-13(11-26-15(3)21-14(2)24-26)20(27)25-9-8-18-17(12-25)19(23-22-18)10-16-6-4-5-7-16/h13,16H,4-12H2,1-3H3,(H,22,23).
What are the key properties of 1-[3-(cyclopentylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-one?
1-[3-(cyclopentylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-one has a molecular weight of 370.50 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopentylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 45252367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).