(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-3-pyrrol-1-ylphenyl)methanone

C20H22N4O — CID 39755711

IUPAC(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-3-pyrrol-1-ylphenyl)methanone
SMILESCCc1n[nH]c2c1CN(C(=O)c1ccc(C)c(-n3cccc3)c1)CC2
InChIInChI=1S/C20H22N4O/c1-3-17-16-13-24(11-8-18(16)22-21-17)20(25)15-7-6-14(2)19(12-15)23-9-4-5-10-23/h4-7,9-10,12H,3,8,11,13H2,1-2H3,(H,21,22)
InChIKeyDBIDCWCDGXSQFX-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.27
Rot. Bonds3

About (3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-3-pyrrol-1-ylphenyl)methanone

(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-3-pyrrol-1-ylphenyl)methanone (PubChem CID 39755711) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-3-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-3-pyrrol-1-ylphenyl)methanone
PubChem CID39755711
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-3-pyrrol-1-ylphenyl)methanone
SMILESCCc1n[nH]c2c1CN(C(=O)c1ccc(C)c(-n3cccc3)c1)CC2
InChIInChI=1S/C20H22N4O/c1-3-17-16-13-24(11-8-18(16)22-21-17)20(25)15-7-6-14(2)19(12-15)23-9-4-5-10-23/h4-7,9-10,12H,3,8,11,13H2,1-2H3,(H,21,22)
InChIKeyDBIDCWCDGXSQFX-UHFFFAOYSA-N
XLogP3.27
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-3-pyrrol-1-ylphenyl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

(2-ethylpyrimidin-5-yl)-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 72869094
[3-[6-(ethylamino)pyridazin-3-yl]phenyl]-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 122570445
6-[4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)phenyl]-2-methylpyridazin-3-one
CID 122566176
5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 56716529
(5-methyl-2-phenyl-1H-imidazol-4-yl)-(3-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 29170162
2-(2-cyclopropylbenzimidazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 39781741
5-(3-chlorobenzoyl)-N-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914428
(3-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 46994041
(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46982336
N-(3-chlorophenyl)-3-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435525
(4-ethylphenyl)-[3-(morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 91914447
(3-benzyl-4-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)-phenylmethanone
CID 70510356

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-3-pyrrol-1-ylphenyl)methanone?
The IUPAC name of (3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-3-pyrrol-1-ylphenyl)methanone (CID 39755711) is (3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-3-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for (3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-3-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for (3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-3-pyrrol-1-ylphenyl)methanone is CCc1n[nH]c2c1CN(C(=O)c1ccc(C)c(-n3cccc3)c1)CC2.
What is the InChIKey of (3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-3-pyrrol-1-ylphenyl)methanone?
The InChIKey is DBIDCWCDGXSQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-3-17-16-13-24(11-8-18(16)22-21-17)20(25)15-7-6-14(2)19(12-15)23-9-4-5-10-23/h4-7,9-10,12H,3,8,11,13H2,1-2H3,(H,21,22).
What are the key properties of (3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-3-pyrrol-1-ylphenyl)methanone?
(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-3-pyrrol-1-ylphenyl)methanone has a molecular weight of 334.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-3-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 39755711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).