2-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-cyclopropylpropanamide

C25H28N4O — CID 56745583

IUPAC2-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1
InChIInChI=1S/C25H28N4O/c1-17(25(30)26-20-12-13-20)29-15-14-22-21(16-29)24(28-27-22)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,23H,12-16H2,1H3,(H,26,30)(H,27,28)
InChIKeyJEIRJLQGXXGTOX-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.62
Rot. Bonds6

About 2-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-cyclopropylpropanamide

2-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-cyclopropylpropanamide (PubChem CID 56745583) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-cyclopropylpropanamide
PubChem CID56745583
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name2-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1
InChIInChI=1S/C25H28N4O/c1-17(25(30)26-20-12-13-20)29-15-14-22-21(16-29)24(28-27-22)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,23H,12-16H2,1H3,(H,26,30)(H,27,28)
InChIKeyJEIRJLQGXXGTOX-UHFFFAOYSA-N
XLogP3.62
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
CID 56759223
(2R)-N-ethyl-2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide
CID 95194367
N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide
CID 46697935
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(thian-4-yl)propanamide
CID 56786129
(2S)-2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propanamide
CID 95221794
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide
CID 96516852
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
(2S)-N-cyclopropyl-2-[(2S)-2-phenylthiomorpholin-4-yl]propanamide
CID 100850678
N-cyclopentyl-2-[4-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]piperazin-1-yl]propanamide
CID 86889631
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide
CID 95765302
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
CID 95980822

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-cyclopropylpropanamide?
The IUPAC name of 2-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-cyclopropylpropanamide (CID 56745583) is 2-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1.
What is the InChIKey of 2-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-cyclopropylpropanamide?
The InChIKey is JEIRJLQGXXGTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-17(25(30)26-20-12-13-20)29-15-14-22-21(16-29)24(28-27-22)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,23H,12-16H2,1H3,(H,26,30)(H,27,28).
What are the key properties of 2-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-cyclopropylpropanamide?
2-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-cyclopropylpropanamide has a molecular weight of 400.53 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-cyclopropylpropanamide is sourced from PubChem (CID 56745583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).