2-(2-cyclopropylbenzimidazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone

C20H23N5O — CID 39781741

IUPAC2-(2-cyclopropylbenzimidazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESCCc1n[nH]c2c1CN(C(=O)Cn1c(C3CC3)nc3ccccc31)CC2
InChIInChI=1S/C20H23N5O/c1-2-15-14-11-24(10-9-16(14)23-22-15)19(26)12-25-18-6-4-3-5-17(18)21-20(25)13-7-8-13/h3-6,13H,2,7-12H2,1H3,(H,22,23)
InChIKeyLBARKZQLMZKGDS-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.78
Rot. Bonds4

About 2-(2-cyclopropylbenzimidazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone

2-(2-cyclopropylbenzimidazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (PubChem CID 39781741) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-(2-cyclopropylbenzimidazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(2-cyclopropylbenzimidazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
PubChem CID39781741
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-(2-cyclopropylbenzimidazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESCCc1n[nH]c2c1CN(C(=O)Cn1c(C3CC3)nc3ccccc31)CC2
InChIInChI=1S/C20H23N5O/c1-2-15-14-11-24(10-9-16(14)23-22-15)19(26)12-25-18-6-4-3-5-17(18)21-20(25)13-7-8-13/h3-6,13H,2,7-12H2,1H3,(H,22,23)
InChIKeyLBARKZQLMZKGDS-UHFFFAOYSA-N
XLogP2.78
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone
CID 16996658
2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
CID 16996660
2-(2-cyclopropylbenzimidazol-1-yl)-1-[(3R)-3-ethoxypiperidin-1-yl]ethanone
CID 95283403
2-(2-cyclopropylbenzimidazol-1-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
CID 86905670
2-(5-aminotetrazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 131900832
2-(2-cyclopropylbenzimidazol-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 16996738
(2-ethylpyrimidin-5-yl)-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 72869094
2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide
CID 17028756
2-(2-cyclopropylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 17028774
2-[2-[(2S)-1-acetylpyrrolidin-2-yl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 26864495
2-(2-cyclopropylbenzimidazol-1-yl)-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone
CID 135104687
5-[3-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 70739520

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylbenzimidazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(2-cyclopropylbenzimidazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (CID 39781741) is 2-(2-cyclopropylbenzimidazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(2-cyclopropylbenzimidazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(2-cyclopropylbenzimidazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is CCc1n[nH]c2c1CN(C(=O)Cn1c(C3CC3)nc3ccccc31)CC2.
What is the InChIKey of 2-(2-cyclopropylbenzimidazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The InChIKey is LBARKZQLMZKGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-15-14-11-24(10-9-16(14)23-22-15)19(26)12-25-18-6-4-3-5-17(18)21-20(25)13-7-8-13/h3-6,13H,2,7-12H2,1H3,(H,22,23).
What are the key properties of 2-(2-cyclopropylbenzimidazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
2-(2-cyclopropylbenzimidazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone has a molecular weight of 349.44 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylbenzimidazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 39781741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).