N-(2-chloro-4-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide

C26H30ClN5O2 — CID 50848916

IUPACN-(2-chloro-4-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(c3ccn4ncc(C(=O)N5CCCCC5)c4c3)CC2)c(Cl)c1
InChIInChI=1S/C26H30ClN5O2/c1-18-5-6-23(22(27)15-18)29-26(34)31-12-7-19(8-13-31)20-9-14-32-24(16-20)21(17-28-32)25(33)30-10-3-2-4-11-30/h5-6,9,14-17,19H,2-4,7-8,10-13H2,1H3,(H,29,34)
InChIKeyQOVVTSZLNJQCJH-UHFFFAOYSA-N
MW480.01 g/mol
LogP5.33
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide

N-(2-chloro-4-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide (PubChem CID 50848916) has the molecular formula C26H30ClN5O2 and a molecular weight of 480.01 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
PubChem CID50848916
Molecular FormulaC26H30ClN5O2
Molecular Weight480.01 g/mol
Exact Mass479.21
IUPAC NameN-(2-chloro-4-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(c3ccn4ncc(C(=O)N5CCCCC5)c4c3)CC2)c(Cl)c1
InChIInChI=1S/C26H30ClN5O2/c1-18-5-6-23(22(27)15-18)29-26(34)31-12-7-19(8-13-31)20-9-14-32-24(16-20)21(17-28-32)25(33)30-10-3-2-4-11-30/h5-6,9,14-17,19H,2-4,7-8,10-13H2,1H3,(H,29,34)
InChIKeyQOVVTSZLNJQCJH-UHFFFAOYSA-N
XLogP5.33
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.01
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide (CID 50848916) is N-(2-chloro-4-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(c3ccn4ncc(C(=O)N5CCCCC5)c4c3)CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide?
The InChIKey is QOVVTSZLNJQCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O2/c1-18-5-6-23(22(27)15-18)29-26(34)31-12-7-19(8-13-31)20-9-14-32-24(16-20)21(17-28-32)25(33)30-10-3-2-4-11-30/h5-6,9,14-17,19H,2-4,7-8,10-13H2,1H3,(H,29,34).
What are the key properties of N-(2-chloro-4-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide?
N-(2-chloro-4-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide has a molecular weight of 480.01 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 50848916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).