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

C17H28N4O — CID 118742237

IUPAC[5-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCC(C)CCN1CCc2[nH]nc(C(=O)N3CCCC3C)c2C1
InChIInChI=1S/C17H28N4O/c1-12(2)6-9-20-10-7-15-14(11-20)16(19-18-15)17(22)21-8-4-5-13(21)3/h12-13H,4-11H2,1-3H3,(H,18,19)
InChIKeyYDSCSSZCFWCLLG-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.44
Rot. Bonds4

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

[5-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 118742237) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is [5-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone
PubChem CID118742237
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name[5-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCC(C)CCN1CCc2[nH]nc(C(=O)N3CCCC3C)c2C1
InChIInChI=1S/C17H28N4O/c1-12(2)6-9-20-10-7-15-14(11-20)16(19-18-15)17(22)21-8-4-5-13(21)3/h12-13H,4-11H2,1-3H3,(H,18,19)
InChIKeyYDSCSSZCFWCLLG-UHFFFAOYSA-N
XLogP2.44
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

US10022354, Example 123
CID 121279532
US10022354, Example 168
CID 132070206
US10022354, Example 27
CID 121279544
5-(2-methylbutan-2-yl)-N-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161475
N-cyclopentyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25163871
2-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide
CID 137634783
N-[2-(1-Cyclohexenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 20887974
US10022354, Example 42
CID 121279502
US10022354, Example 124
CID 121279533
US10022354, Example 125
CID 121279534
US10022354, Example 43
CID 121279693
US10022354, Example 40
CID 121279697

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone (CID 118742237) is [5-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone is CC(C)CCN1CCc2[nH]nc(C(=O)N3CCCC3C)c2C1.
What is the InChIKey of [5-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is YDSCSSZCFWCLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-12(2)6-9-20-10-7-15-14(11-20)16(19-18-15)17(22)21-8-4-5-13(21)3/h12-13H,4-11H2,1-3H3,(H,18,19).
What are the key properties of [5-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone?
[5-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 304.44 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 118742237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).