3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-1H-pyridazin-6-one

C20H16N8O — CID 50925217

IUPAC3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-1H-pyridazin-6-one
SMILESCn1cc(-c2cnc(N)c(-c3nc4ccc(-c5ccc(=O)[nH]n5)cc4[nH]3)c2)cn1
InChIInChI=1S/C20H16N8O/c1-28-10-13(9-23-28)12-6-14(19(21)22-8-12)20-24-16-3-2-11(7-17(16)25-20)15-4-5-18(29)27-26-15/h2-10H,1H3,(H2,21,22)(H,24,25)(H,27,29)
InChIKeyJKLCAJGJQWPHHQ-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.36
Rot. Bonds3

About 3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-1H-pyridazin-6-one

3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-1H-pyridazin-6-one (PubChem CID 50925217) has the molecular formula C20H16N8O and a molecular weight of 384.40 g/mol. Its IUPAC name is 3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-1H-pyridazin-6-one
PubChem CID50925217
Molecular FormulaC20H16N8O
Molecular Weight384.40 g/mol
Exact Mass384.14
IUPAC Name3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-1H-pyridazin-6-one
SMILESCn1cc(-c2cnc(N)c(-c3nc4ccc(-c5ccc(=O)[nH]n5)cc4[nH]3)c2)cn1
InChIInChI=1S/C20H16N8O/c1-28-10-13(9-23-28)12-6-14(19(21)22-8-12)20-24-16-3-2-11(7-17(16)25-20)15-4-5-18(29)27-26-15/h2-10H,1H3,(H2,21,22)(H,24,25)(H,27,29)
InChIKeyJKLCAJGJQWPHHQ-UHFFFAOYSA-N
XLogP2.36
TPSA131.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-1H-pyridazin-6-one with MolForge

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Related Compounds

[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone
CID 50924471
3-(6-benzyl-1H-benzimidazol-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 50924475
ethyl 2-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]acetate
CID 68910003
N-[2-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]ethyl]-3,4-difluorobenzamide
CID 50924934
6-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-amine
CID 118184961
3-(6-methoxy-1H-benzimidazol-2-yl)-5-(1-propylpyrazol-4-yl)pyridin-2-amine
CID 50924931
3-[2-[2-amino-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 50925376
2-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-amine
CID 28742910
6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one
CID 50923878
6-fluoro-2-(1-methylpyrazol-4-yl)-1H-benzimidazole
CID 60980673
3-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 123430712
2-[4-(1-methylpyrazol-4-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 162661835

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-1H-pyridazin-6-one (CID 50925217) is 3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-1H-pyridazin-6-one is Cn1cc(-c2cnc(N)c(-c3nc4ccc(-c5ccc(=O)[nH]n5)cc4[nH]3)c2)cn1.
What is the InChIKey of 3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-1H-pyridazin-6-one?
The InChIKey is JKLCAJGJQWPHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N8O/c1-28-10-13(9-23-28)12-6-14(19(21)22-8-12)20-24-16-3-2-11(7-17(16)25-20)15-4-5-18(29)27-26-15/h2-10H,1H3,(H2,21,22)(H,24,25)(H,27,29).
What are the key properties of 3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-1H-pyridazin-6-one?
3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-1H-pyridazin-6-one has a molecular weight of 384.40 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 50925217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).