[3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-pyrimidin-4-ylmethanone

C22H24N6O — CID 163337219

IUPAC[3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1CCC(c2n[nH]c3c2CN(Cc2ccccc2)CC3)C1
InChIInChI=1S/C22H24N6O/c29-22(20-6-9-23-15-24-20)28-11-7-17(13-28)21-18-14-27(10-8-19(18)25-26-21)12-16-4-2-1-3-5-16/h1-6,9,15,17H,7-8,10-14H2,(H,25,26)
InChIKeyJGLZLCAIXRITJB-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.39
Rot. Bonds4

About [3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-pyrimidin-4-ylmethanone

[3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-pyrimidin-4-ylmethanone (PubChem CID 163337219) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is [3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-pyrimidin-4-ylmethanone
PubChem CID163337219
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name[3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1CCC(c2n[nH]c3c2CN(Cc2ccccc2)CC3)C1
InChIInChI=1S/C22H24N6O/c29-22(20-6-9-23-15-24-20)28-11-7-17(13-28)21-18-14-27(10-8-19(18)25-26-21)12-16-4-2-1-3-5-16/h1-6,9,15,17H,7-8,10-14H2,(H,25,26)
InChIKeyJGLZLCAIXRITJB-UHFFFAOYSA-N
XLogP2.39
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-benzyl-3-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 172908815
3-cyclobutyl-5-[[4-(furan-2-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 31126051
[(1R,6S)-8-(2-chlorobenzoyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]-pyrimidin-4-ylmethanone
CID 154851158
furan-2-yl-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]methanone
CID 155880389
[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
CID 124963907
[(3S,4R)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyrimidin-4-ylmethanone
CID 97422522
[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
CID 110114980
N,N-dimethyl-5-(pyridin-4-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97388926
N-benzyl-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide
CID 56897168
[(2R)-1-benzylpiperidin-2-yl]-(4-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 124755369
2-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)propan-2-amine
CID 83851652

Frequently Asked Questions

What is the IUPAC name of [3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-pyrimidin-4-ylmethanone (CID 163337219) is [3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-pyrimidin-4-ylmethanone is O=C(c1ccncn1)N1CCC(c2n[nH]c3c2CN(Cc2ccccc2)CC3)C1.
What is the InChIKey of [3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-pyrimidin-4-ylmethanone?
The InChIKey is JGLZLCAIXRITJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c29-22(20-6-9-23-15-24-20)28-11-7-17(13-28)21-18-14-27(10-8-19(18)25-26-21)12-16-4-2-1-3-5-16/h1-6,9,15,17H,7-8,10-14H2,(H,25,26).
What are the key properties of [3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-pyrimidin-4-ylmethanone?
[3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-pyrimidin-4-ylmethanone has a molecular weight of 388.48 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-1-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 163337219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).