(2S)-1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one

C19H27N5O — CID 97271300

IUPAC(2S)-1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
SMILESCC(C)c1nccn1[C@@H](C)C(=O)N1CCc2[nH]nc(C3CCC3)c2C1
InChIInChI=1S/C19H27N5O/c1-12(2)18-20-8-10-24(18)13(3)19(25)23-9-7-16-15(11-23)17(22-21-16)14-5-4-6-14/h8,10,12-14H,4-7,9,11H2,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeyTVUUTDONVWQNPQ-ZDUSSCGKSA-N
MW341.46 g/mol
LogP3.14
Rot. Bonds4

About (2S)-1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one

(2S)-1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one (PubChem CID 97271300) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is (2S)-1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
PubChem CID97271300
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name(2S)-1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
SMILESCC(C)c1nccn1[C@@H](C)C(=O)N1CCc2[nH]nc(C3CCC3)c2C1
InChIInChI=1S/C19H27N5O/c1-12(2)18-20-8-10-24(18)13(3)19(25)23-9-7-16-15(11-23)17(22-21-16)14-5-4-6-14/h8,10,12-14H,4-7,9,11H2,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeyTVUUTDONVWQNPQ-ZDUSSCGKSA-N
XLogP3.14
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-cycloheptylmethanone
CID 46984747
2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one
CID 72909196
7-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136917872
1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 31003834
(2R)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 95129359
(2S)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 95129358
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 50953300
1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(1-propylpiperidin-4-yl)ethanone
CID 50954190
6-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one
CID 31106795
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 31073625
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 72937551
N-(2-bromo-3-fluoro-4-pyridinyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121443404

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The IUPAC name of (2S)-1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one (CID 97271300) is (2S)-1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one.
What is the SMILES notation for (2S)-1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The canonical SMILES for (2S)-1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one is CC(C)c1nccn1[C@@H](C)C(=O)N1CCc2[nH]nc(C3CCC3)c2C1.
What is the InChIKey of (2S)-1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The InChIKey is TVUUTDONVWQNPQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H27N5O/c1-12(2)18-20-8-10-24(18)13(3)19(25)23-9-7-16-15(11-23)17(22-21-16)14-5-4-6-14/h8,10,12-14H,4-7,9,11H2,1-3H3,(H,21,22)/t13-/m0/s1.
What are the key properties of (2S)-1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one?
(2S)-1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one has a molecular weight of 341.46 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 97271300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).