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

C26H29N9O — CID 50925376

IUPAC3-[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
SMILESCC1CC(=O)NN=C1c1ccc2nc(-c3cc(-c4cnn(CCN5CCCC5)c4)cnc3N)[nH]c2c1
InChIInChI=1S/C26H29N9O/c1-16-10-23(36)32-33-24(16)17-4-5-21-22(12-17)31-26(30-21)20-11-18(13-28-25(20)27)19-14-29-35(15-19)9-8-34-6-2-3-7-34/h4-5,11-16H,2-3,6-10H2,1H3,(H2,27,28)(H,30,31)(H,32,36)
InChIKeyFDHZFKKTPHHBHD-UHFFFAOYSA-N
MW483.58 g/mol
LogP3.03
Rot. Bonds6

About 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

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 (PubChem CID 50925376) has the molecular formula C26H29N9O and a molecular weight of 483.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID50925376
Molecular FormulaC26H29N9O
Molecular Weight483.58 g/mol
Exact Mass483.25
IUPAC Name3-[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
SMILESCC1CC(=O)NN=C1c1ccc2nc(-c3cc(-c4cnn(CCN5CCCC5)c4)cnc3N)[nH]c2c1
InChIInChI=1S/C26H29N9O/c1-16-10-23(36)32-33-24(16)17-4-5-21-22(12-17)31-26(30-21)20-11-18(13-28-25(20)27)19-14-29-35(15-19)9-8-34-6-2-3-7-34/h4-5,11-16H,2-3,6-10H2,1H3,(H2,27,28)(H,30,31)(H,32,36)
InChIKeyFDHZFKKTPHHBHD-UHFFFAOYSA-N
XLogP3.03
TPSA130.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

3-(6-methoxy-1H-benzimidazol-2-yl)-5-(1-propylpyrazol-4-yl)pyridin-2-amine
CID 50924931
3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-1H-pyridazin-6-one
CID 50925217
(4S)-3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 6918916
methanol;3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 53472132
4-methyl-3-[2-[4-(trideuterio(113C)methoxy)phenyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
CID 76974491
4-methyl-3-[2-[4-(trideuteriomethoxy)phenyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
CID 169445678
ethyl 2-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]acetate
CID 68910003
3-(6-benzyl-1H-benzimidazol-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 50924475
[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone
CID 50924471
1,4-dioxane;3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 67240663
3-(1,3-benzoxazol-2-yl)-5-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]pyridin-2-amine
CID 67388137
4-methyl-3-[2-(1-oxo-1,4-thiazinan-4-yl)-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
CID 70384975

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CC(=O)NN=C1c1ccc2nc(-c3cc(-c4cnn(CCN5CCCC5)c4)cnc3N)[nH]c2c1.
What is the InChIKey of 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?
The InChIKey is FDHZFKKTPHHBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N9O/c1-16-10-23(36)32-33-24(16)17-4-5-21-22(12-17)31-26(30-21)20-11-18(13-28-25(20)27)19-14-29-35(15-19)9-8-34-6-2-3-7-34/h4-5,11-16H,2-3,6-10H2,1H3,(H2,27,28)(H,30,31)(H,32,36).
What are the key properties of 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?
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 has a molecular weight of 483.58 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 50925376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).