(2R)-1-[1-(1H-benzimidazol-2-yl)-5-chloro-6-oxopyridazin-4-yl]pyrrolidine-2-carboxamide

C16H15ClN6O2 — CID 40716557

IUPAC(2R)-1-[1-(1H-benzimidazol-2-yl)-5-chloro-6-oxopyridazin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1c1cnn(-c2nc3ccccc3[nH]2)c(=O)c1Cl
InChIInChI=1S/C16H15ClN6O2/c17-13-12(22-7-3-6-11(22)14(18)24)8-19-23(15(13)25)16-20-9-4-1-2-5-10(9)21-16/h1-2,4-5,8,11H,3,6-7H2,(H2,18,24)(H,20,21)/t11-/m1/s1
InChIKeyWHOIZWFJOCXNAE-LLVKDONJSA-N
MW358.79 g/mol
LogP1.22
Rot. Bonds3

About (2R)-1-[1-(1H-benzimidazol-2-yl)-5-chloro-6-oxopyridazin-4-yl]pyrrolidine-2-carboxamide

(2R)-1-[1-(1H-benzimidazol-2-yl)-5-chloro-6-oxopyridazin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 40716557) has the molecular formula C16H15ClN6O2 and a molecular weight of 358.79 g/mol. Its IUPAC name is (2R)-1-[1-(1H-benzimidazol-2-yl)-5-chloro-6-oxopyridazin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[1-(1H-benzimidazol-2-yl)-5-chloro-6-oxopyridazin-4-yl]pyrrolidine-2-carboxamide
PubChem CID40716557
Molecular FormulaC16H15ClN6O2
Molecular Weight358.79 g/mol
Exact Mass358.09
IUPAC Name(2R)-1-[1-(1H-benzimidazol-2-yl)-5-chloro-6-oxopyridazin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1c1cnn(-c2nc3ccccc3[nH]2)c(=O)c1Cl
InChIInChI=1S/C16H15ClN6O2/c17-13-12(22-7-3-6-11(22)14(18)24)8-19-23(15(13)25)16-20-9-4-1-2-5-10(9)21-16/h1-2,4-5,8,11H,3,6-7H2,(H2,18,24)(H,20,21)/t11-/m1/s1
InChIKeyWHOIZWFJOCXNAE-LLVKDONJSA-N
XLogP1.22
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1H-benzimidazol-2-yl)-4-chloro-5-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]pyridazin-3-one
CID 41184217
2-(1H-benzimidazol-2-yl)-4-chloro-5-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]pyridazin-3-one
CID 41189269
N-[4-[1-(1H-benzimidazol-2-yl)-5-chloro-6-oxopyridazin-4-yl]piperazine-1-carbothioyl]cyclopentanecarboxamide
CID 2112312
2-(1H-benzimidazol-2-yl)-4-chloro-5-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one
CID 23474369
[1-(1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanamine
CID 62593155
(2S)-1-[5-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]pyrrolidine-2-carboxylic acid
CID 122059819
2-(1H-benzimidazol-2-yl)-4-chloro-5-(3-phenylpropylamino)pyridazin-3-one
CID 23474386
1-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 43121111
2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]pyridazin-3-one
CID 9292394
2-(1H-benzimidazol-2-yl)-4-chloro-5-(3-fluoroanilino)pyridazin-3-one
CID 23474356
1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 80765389
2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]pyridazin-3-one
CID 30639392

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(1H-benzimidazol-2-yl)-5-chloro-6-oxopyridazin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[1-(1H-benzimidazol-2-yl)-5-chloro-6-oxopyridazin-4-yl]pyrrolidine-2-carboxamide (CID 40716557) is (2R)-1-[1-(1H-benzimidazol-2-yl)-5-chloro-6-oxopyridazin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[1-(1H-benzimidazol-2-yl)-5-chloro-6-oxopyridazin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[1-(1H-benzimidazol-2-yl)-5-chloro-6-oxopyridazin-4-yl]pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1c1cnn(-c2nc3ccccc3[nH]2)c(=O)c1Cl.
What is the InChIKey of (2R)-1-[1-(1H-benzimidazol-2-yl)-5-chloro-6-oxopyridazin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is WHOIZWFJOCXNAE-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15ClN6O2/c17-13-12(22-7-3-6-11(22)14(18)24)8-19-23(15(13)25)16-20-9-4-1-2-5-10(9)21-16/h1-2,4-5,8,11H,3,6-7H2,(H2,18,24)(H,20,21)/t11-/m1/s1.
What are the key properties of (2R)-1-[1-(1H-benzimidazol-2-yl)-5-chloro-6-oxopyridazin-4-yl]pyrrolidine-2-carboxamide?
(2R)-1-[1-(1H-benzimidazol-2-yl)-5-chloro-6-oxopyridazin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(1H-benzimidazol-2-yl)-5-chloro-6-oxopyridazin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 40716557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).