1-[3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one

C23H28N6O — CID 155882574

IUPAC1-[3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
SMILESO=C(CCn1ccnc1)N1CCC(c2n[nH]c3c2CN(Cc2ccccc2)CC3)C1
InChIInChI=1S/C23H28N6O/c30-22(8-11-27-13-9-24-17-27)29-12-6-19(15-29)23-20-16-28(10-7-21(20)25-26-23)14-18-4-2-1-3-5-18/h1-5,9,13,17,19H,6-8,10-12,14-16H2,(H,25,26)
InChIKeyJKWHNRZOLFSSNF-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.57
Rot. Bonds6

About 1-[3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one

1-[3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one (PubChem CID 155882574) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 1-[3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
PubChem CID155882574
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name1-[3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
SMILESO=C(CCn1ccnc1)N1CCC(c2n[nH]c3c2CN(Cc2ccccc2)CC3)C1
InChIInChI=1S/C23H28N6O/c30-22(8-11-27-13-9-24-17-27)29-12-6-19(15-29)23-20-16-28(10-7-21(20)25-26-23)14-18-4-2-1-3-5-18/h1-5,9,13,17,19H,6-8,10-12,14-16H2,(H,25,26)
InChIKeyJKWHNRZOLFSSNF-UHFFFAOYSA-N
XLogP2.57
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-pyrimidin-4-ylmethanone
CID 163337219
1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 118795553
5-benzyl-3-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 172908815
1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 95935284
3-imidazol-1-yl-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124966328
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 66260854
3-imidazol-1-yl-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110098304
3-cyclobutyl-5-[[4-(furan-2-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 31126051
3-imidazol-1-yl-1-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110104632
1-[4-(2-imidazol-1-ylethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one
CID 18928687
1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-4-imidazol-1-ylbutan-1-one
CID 70767519
3-[(3S)-1-(4-imidazol-1-ylbutanoyl)piperidin-3-yl]benzoic acid
CID 97196298

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-[3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one (CID 155882574) is 1-[3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-[3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one is O=C(CCn1ccnc1)N1CCC(c2n[nH]c3c2CN(Cc2ccccc2)CC3)C1.
What is the InChIKey of 1-[3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The InChIKey is JKWHNRZOLFSSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c30-22(8-11-27-13-9-24-17-27)29-12-6-19(15-29)23-20-16-28(10-7-21(20)25-26-23)14-18-4-2-1-3-5-18/h1-5,9,13,17,19H,6-8,10-12,14-16H2,(H,25,26).
What are the key properties of 1-[3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one?
1-[3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one has a molecular weight of 404.52 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 155882574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).