(2S)-2-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidine-1-carboxamide

C16H23N5O2 — CID 39754099

IUPAC(2S)-2-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC[C@H]1C(=O)N1CCc2[nH]nc(C3CCC3)c2C1
InChIInChI=1S/C16H23N5O2/c17-16(23)21-7-2-5-13(21)15(22)20-8-6-12-11(9-20)14(19-18-12)10-3-1-4-10/h10,13H,1-9H2,(H2,17,23)(H,18,19)/t13-/m0/s1
InChIKeyNORXEGMWXISFTR-ZDUSSCGKSA-N
MW317.39 g/mol
LogP1.11
Rot. Bonds2

About (2S)-2-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidine-1-carboxamide

(2S)-2-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidine-1-carboxamide (PubChem CID 39754099) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2S)-2-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidine-1-carboxamide
PubChem CID39754099
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name(2S)-2-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC[C@H]1C(=O)N1CCc2[nH]nc(C3CCC3)c2C1
InChIInChI=1S/C16H23N5O2/c17-16(23)21-7-2-5-13(21)15(22)20-8-6-12-11(9-20)14(19-18-12)10-3-1-4-10/h10,13H,1-9H2,(H2,17,23)(H,18,19)/t13-/m0/s1
InChIKeyNORXEGMWXISFTR-ZDUSSCGKSA-N
XLogP1.11
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3-Methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 118742237
3-Cyclopentyl-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 46075103
1-[3-(Pyrrolidine-1-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-5-YL]hexan-1-one
CID 46075105
N-[2-(3-ethyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]urea (non-preferred name)
CID 91771576
5-(azepan-1-ylacetyl)-3-cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 91842955
1,1-dimethyl-3-[(3R,4S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]urea
CID 164632530
3-[2-(3-cyclopropyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]-4-(3-methylbutyl)-2-piperazinone
CID 56887808
4-(fluoromethyl)-1-{1-[(4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl]piperidin-4-yl}pyrrolidin-2-one
CID 126899874
(1-Fluorocyclobutyl)-[3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone
CID 131696212
(4,4-difluoropyrrolidin-2-yl)-[4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)piperidin-1-yl]methanone
CID 132402944
1-Methyl-3-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrrolidin-2-one
CID 166178566
2-amino-N-[(2S)-4-methyl-1-oxo-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pentan-2-yl]acetamide
CID 166392668

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidine-1-carboxamide (CID 39754099) is (2S)-2-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidine-1-carboxamide is NC(=O)N1CCC[C@H]1C(=O)N1CCc2[nH]nc(C3CCC3)c2C1.
What is the InChIKey of (2S)-2-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidine-1-carboxamide?
The InChIKey is NORXEGMWXISFTR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O2/c17-16(23)21-7-2-5-13(21)15(22)20-8-6-12-11(9-20)14(19-18-12)10-3-1-4-10/h10,13H,1-9H2,(H2,17,23)(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidine-1-carboxamide?
(2S)-2-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidine-1-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 39754099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).