[2-(2-methylpropyl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone

C18H29N3O — CID 119042821

IUPAC[2-(2-methylpropyl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESCC(C)CC1CCCCCN1C(=O)c1cnn2c1CCCC2
InChIInChI=1S/C18H29N3O/c1-14(2)12-15-8-4-3-6-10-20(15)18(22)16-13-19-21-11-7-5-9-17(16)21/h13-15H,3-12H2,1-2H3
InChIKeyANESCJKSEUJEAD-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.65
Rot. Bonds3

About [2-(2-methylpropyl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone

[2-(2-methylpropyl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone (PubChem CID 119042821) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is [2-(2-methylpropyl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[2-(2-methylpropyl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
PubChem CID119042821
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name[2-(2-methylpropyl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESCC(C)CC1CCCCCN1C(=O)c1cnn2c1CCCC2
InChIInChI=1S/C18H29N3O/c1-14(2)12-15-8-4-3-6-10-20(15)18(22)16-13-19-21-11-7-5-9-17(16)21/h13-15H,3-12H2,1-2H3
InChIKeyANESCJKSEUJEAD-UHFFFAOYSA-N
XLogP3.65
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 154843973
1-phenyl-2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-2-yl]ethanone
CID 122138155
(1-tert-butylpyrazol-4-yl)-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone
CID 124591057
[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 99828297
[(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 124725840
(2-pyridin-2-ylpyrrolidin-1-yl)-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 56895640
[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 95720181
[2-(cyclopropylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone
CID 124626454
(2-chlorofuran-3-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 112748131
(1,5-dimethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79547117
(4S)-N-tert-butyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 124571790
N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 99704160

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone?
The IUPAC name of [2-(2-methylpropyl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone (CID 119042821) is [2-(2-methylpropyl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone.
What is the SMILES notation for [2-(2-methylpropyl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone?
The canonical SMILES for [2-(2-methylpropyl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone is CC(C)CC1CCCCCN1C(=O)c1cnn2c1CCCC2.
What is the InChIKey of [2-(2-methylpropyl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone?
The InChIKey is ANESCJKSEUJEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-14(2)12-15-8-4-3-6-10-20(15)18(22)16-13-19-21-11-7-5-9-17(16)21/h13-15H,3-12H2,1-2H3.
What are the key properties of [2-(2-methylpropyl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone?
[2-(2-methylpropyl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone has a molecular weight of 303.45 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone is sourced from PubChem (CID 119042821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).