N-(2-chloro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C18H16ClN5O — CID 162672573

IUPACN-(2-chloro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccnc(Cl)c1)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C18H16ClN5O/c19-16-10-13(6-8-20-16)21-18(25)24-9-7-15-14(11-24)17(23-22-15)12-4-2-1-3-5-12/h1-6,8,10H,7,9,11H2,(H,22,23)(H,20,21,25)
InChIKeyFOYOQHHNZNNNHM-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.72
Rot. Bonds2

About N-(2-chloro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-(2-chloro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 162672573) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID162672573
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC NameN-(2-chloro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccnc(Cl)c1)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C18H16ClN5O/c19-16-10-13(6-8-20-16)21-18(25)24-9-7-15-14(11-24)17(23-22-15)12-4-2-1-3-5-12/h1-6,8,10H,7,9,11H2,(H,22,23)(H,20,21,25)
InChIKeyFOYOQHHNZNNNHM-UHFFFAOYSA-N
XLogP3.72
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(2-chloro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 162672573) is N-(2-chloro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(2-chloro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is O=C(Nc1ccnc(Cl)c1)N1CCc2[nH]nc(-c3ccccc3)c2C1.
What is the InChIKey of N-(2-chloro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is FOYOQHHNZNNNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O/c19-16-10-13(6-8-20-16)21-18(25)24-9-7-15-14(11-24)17(23-22-15)12-4-2-1-3-5-12/h1-6,8,10H,7,9,11H2,(H,22,23)(H,20,21,25).
What are the key properties of N-(2-chloro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-(2-chloro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 162672573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).