(3S)-N-cyclopentyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)piperidine-1-carboxamide

C18H27N5O2 — CID 125140069

IUPAC(3S)-N-cyclopentyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCC[C@H](C(=O)N2CCCc3[nH]ncc32)C1
InChIInChI=1S/C18H27N5O2/c24-17(23-10-4-8-15-16(23)11-19-21-15)13-5-3-9-22(12-13)18(25)20-14-6-1-2-7-14/h11,13-14H,1-10,12H2,(H,19,21)(H,20,25)/t13-/m0/s1
InChIKeyMAKLSHXDOZQKNI-ZDUSSCGKSA-N
MW345.45 g/mol
LogP2.05
Rot. Bonds2

About (3S)-N-cyclopentyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)piperidine-1-carboxamide

(3S)-N-cyclopentyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)piperidine-1-carboxamide (PubChem CID 125140069) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (3S)-N-cyclopentyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopentyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)piperidine-1-carboxamide
PubChem CID125140069
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name(3S)-N-cyclopentyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCC[C@H](C(=O)N2CCCc3[nH]ncc32)C1
InChIInChI=1S/C18H27N5O2/c24-17(23-10-4-8-15-16(23)11-19-21-15)13-5-3-9-22(12-13)18(25)20-14-6-1-2-7-14/h11,13-14H,1-10,12H2,(H,19,21)(H,20,25)/t13-/m0/s1
InChIKeyMAKLSHXDOZQKNI-ZDUSSCGKSA-N
XLogP2.05
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-N-cyclopentyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)piperidine-1-carboxamide with MolForge

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Related Compounds

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CID 75473823
CID 75473823
CID 75473824
CID 75473824
CID 75473830
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CID 75473832
CID 75473832
CID 75473834
CID 75473834
CID 75473902
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CID 75473910

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopentyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-cyclopentyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)piperidine-1-carboxamide (CID 125140069) is (3S)-N-cyclopentyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-cyclopentyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-cyclopentyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)piperidine-1-carboxamide is O=C(NC1CCCC1)N1CCC[C@H](C(=O)N2CCCc3[nH]ncc32)C1.
What is the InChIKey of (3S)-N-cyclopentyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)piperidine-1-carboxamide?
The InChIKey is MAKLSHXDOZQKNI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H27N5O2/c24-17(23-10-4-8-15-16(23)11-19-21-15)13-5-3-9-22(12-13)18(25)20-14-6-1-2-7-14/h11,13-14H,1-10,12H2,(H,19,21)(H,20,25)/t13-/m0/s1.
What are the key properties of (3S)-N-cyclopentyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)piperidine-1-carboxamide?
(3S)-N-cyclopentyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)piperidine-1-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopentyl-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 125140069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).