(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

C17H21N5O — CID 56875753

IUPAC(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESCN1CCc2[nH]nc(C(=O)N3CCCC3c3ccccn3)c2C1
InChIInChI=1S/C17H21N5O/c1-21-10-7-13-12(11-21)16(20-19-13)17(23)22-9-4-6-15(22)14-5-2-3-8-18-14/h2-3,5,8,15H,4,6-7,9-11H2,1H3,(H,19,20)
InChIKeyHIZDLDMQVUWCSF-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.77
Rot. Bonds2

About (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 56875753) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
PubChem CID56875753
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESCN1CCc2[nH]nc(C(=O)N3CCCC3c3ccccn3)c2C1
InChIInChI=1S/C17H21N5O/c1-21-10-7-13-12(11-21)16(20-19-13)17(23)22-9-4-6-15(22)14-5-2-3-8-18-14/h2-3,5,8,15H,4,6-7,9-11H2,1H3,(H,19,20)
InChIKeyHIZDLDMQVUWCSF-UHFFFAOYSA-N
XLogP1.77
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone (CID 56875753) is (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone is CN1CCc2[nH]nc(C(=O)N3CCCC3c3ccccn3)c2C1.
What is the InChIKey of (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is HIZDLDMQVUWCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-21-10-7-13-12(11-21)16(20-19-13)17(23)22-9-4-6-15(22)14-5-2-3-8-18-14/h2-3,5,8,15H,4,6-7,9-11H2,1H3,(H,19,20).
What are the key properties of (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 311.39 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 56875753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).