N-(3-chlorophenyl)-3-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C17H15ClN6O — CID 121435115

IUPACN-(3-chlorophenyl)-3-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3cncnc3)c2C1
InChIInChI=1S/C17H15ClN6O/c18-12-2-1-3-13(6-12)21-17(25)24-5-4-15-14(9-24)16(23-22-15)11-7-19-10-20-8-11/h1-3,6-8,10H,4-5,9H2,(H,21,25)(H,22,23)
InChIKeyRGEUMLJZUQHXCR-UHFFFAOYSA-N
MW354.80 g/mol
LogP3.11
Rot. Bonds2

About N-(3-chlorophenyl)-3-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-(3-chlorophenyl)-3-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121435115) has the molecular formula C17H15ClN6O and a molecular weight of 354.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121435115
Molecular FormulaC17H15ClN6O
Molecular Weight354.80 g/mol
Exact Mass354.10
IUPAC NameN-(3-chlorophenyl)-3-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3cncnc3)c2C1
InChIInChI=1S/C17H15ClN6O/c18-12-2-1-3-13(6-12)21-17(25)24-5-4-15-14(9-24)16(23-22-15)11-7-19-10-20-8-11/h1-3,6-8,10H,4-5,9H2,(H,21,25)(H,22,23)
InChIKeyRGEUMLJZUQHXCR-UHFFFAOYSA-N
XLogP3.11
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 121435115) is N-(3-chlorophenyl)-3-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3cncnc3)c2C1.
What is the InChIKey of N-(3-chlorophenyl)-3-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is RGEUMLJZUQHXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O/c18-12-2-1-3-13(6-12)21-17(25)24-5-4-15-14(9-24)16(23-22-15)11-7-19-10-20-8-11/h1-3,6-8,10H,4-5,9H2,(H,21,25)(H,22,23).
What are the key properties of N-(3-chlorophenyl)-3-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-(3-chlorophenyl)-3-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-pyrimidin-5-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121435115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).