N-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide

C19H26N6O — CID 155964517

IUPACN-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(NCCC1CCCN(c2ncccn2)C1)c1cc2n(n1)CCCC2
InChIInChI=1S/C19H26N6O/c26-18(17-13-16-6-1-2-12-25(16)23-17)20-10-7-15-5-3-11-24(14-15)19-21-8-4-9-22-19/h4,8-9,13,15H,1-3,5-7,10-12,14H2,(H,20,26)
InChIKeyPSYVCXNDRRIUSE-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.05
Rot. Bonds5

About N-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide

N-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 155964517) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID155964517
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(NCCC1CCCN(c2ncccn2)C1)c1cc2n(n1)CCCC2
InChIInChI=1S/C19H26N6O/c26-18(17-13-16-6-1-2-12-25(16)23-17)20-10-7-15-5-3-11-24(14-15)19-21-8-4-9-22-19/h4,8-9,13,15H,1-3,5-7,10-12,14H2,(H,20,26)
InChIKeyPSYVCXNDRRIUSE-UHFFFAOYSA-N
XLogP2.05
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of N-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide (CID 155964517) is N-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide is O=C(NCCC1CCCN(c2ncccn2)C1)c1cc2n(n1)CCCC2.
What is the InChIKey of N-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is PSYVCXNDRRIUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c26-18(17-13-16-6-1-2-12-25(16)23-17)20-10-7-15-5-3-11-24(14-15)19-21-8-4-9-22-19/h4,8-9,13,15H,1-3,5-7,10-12,14H2,(H,20,26).
What are the key properties of N-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
N-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 155964517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).