N-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

C16H17ClN6O2 — CID 166361846

IUPACN-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCCn1c(=O)[nH]c2cc(Cl)ccc21)c1n[nH]c2c1CNCC2
InChIInChI=1S/C16H17ClN6O2/c17-9-1-2-13-12(7-9)20-16(25)23(13)6-5-19-15(24)14-10-8-18-4-3-11(10)21-22-14/h1-2,7,18H,3-6,8H2,(H,19,24)(H,20,25)(H,21,22)
InChIKeyGQUKYCLLJHSVEV-UHFFFAOYSA-N
MW360.81 g/mol
LogP0.78
Rot. Bonds4

About N-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 166361846) has the molecular formula C16H17ClN6O2 and a molecular weight of 360.81 g/mol. Its IUPAC name is N-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID166361846
Molecular FormulaC16H17ClN6O2
Molecular Weight360.81 g/mol
Exact Mass360.11
IUPAC NameN-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCCn1c(=O)[nH]c2cc(Cl)ccc21)c1n[nH]c2c1CNCC2
InChIInChI=1S/C16H17ClN6O2/c17-9-1-2-13-12(7-9)20-16(25)23(13)6-5-19-15(24)14-10-8-18-4-3-11(10)21-22-14/h1-2,7,18H,3-6,8H2,(H,19,24)(H,20,25)(H,21,22)
InChIKeyGQUKYCLLJHSVEV-UHFFFAOYSA-N
XLogP0.78
TPSA107.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.81
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 166361846) is N-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide is O=C(NCCn1c(=O)[nH]c2cc(Cl)ccc21)c1n[nH]c2c1CNCC2.
What is the InChIKey of N-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is GQUKYCLLJHSVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O2/c17-9-1-2-13-12(7-9)20-16(25)23(13)6-5-19-15(24)14-10-8-18-4-3-11(10)21-22-14/h1-2,7,18H,3-6,8H2,(H,19,24)(H,20,25)(H,21,22).
What are the key properties of N-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 360.81 g/mol, XLogP of 0.78, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 166361846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).