(3-aminopiperidin-1-yl)-[2-(7-ethylpyrrolo[1,2-b]pyridazin-6-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone

C24H28N6O2 — CID 175107450

IUPAC(3-aminopiperidin-1-yl)-[2-(7-ethylpyrrolo[1,2-b]pyridazin-6-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone
SMILESCCc1c(-c2nc3cc(C(=O)N4CCCC(N)C4)cc(OC)c3n2C)cc2cccnn12
InChIInChI=1S/C24H28N6O2/c1-4-20-18(13-17-8-5-9-26-30(17)20)23-27-19-11-15(12-21(32-3)22(19)28(23)2)24(31)29-10-6-7-16(25)14-29/h5,8-9,11-13,16H,4,6-7,10,14,25H2,1-3H3
InChIKeyAWANJXNMHFXVFA-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.02
Rot. Bonds4

About (3-aminopiperidin-1-yl)-[2-(7-ethylpyrrolo[1,2-b]pyridazin-6-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone

(3-aminopiperidin-1-yl)-[2-(7-ethylpyrrolo[1,2-b]pyridazin-6-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone (PubChem CID 175107450) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[2-(7-ethylpyrrolo[1,2-b]pyridazin-6-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[2-(7-ethylpyrrolo[1,2-b]pyridazin-6-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone
PubChem CID175107450
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name(3-aminopiperidin-1-yl)-[2-(7-ethylpyrrolo[1,2-b]pyridazin-6-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone
SMILESCCc1c(-c2nc3cc(C(=O)N4CCCC(N)C4)cc(OC)c3n2C)cc2cccnn12
InChIInChI=1S/C24H28N6O2/c1-4-20-18(13-17-8-5-9-26-30(17)20)23-27-19-11-15(12-21(32-3)22(19)28(23)2)24(31)29-10-6-7-16(25)14-29/h5,8-9,11-13,16H,4,6-7,10,14,25H2,1-3H3
InChIKeyAWANJXNMHFXVFA-UHFFFAOYSA-N
XLogP3.02
TPSA90.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-aminopiperidin-1-yl)-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 118158934
(3-aminopiperidin-1-yl)-[7-methoxy-1-methyl-2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-2-yl]benzimidazol-5-yl]methanone
CID 118158930
(3-aminopiperidin-1-yl)-[2-[1-(2,2-dimethylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 118158974
[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazol-5-yl]methanone
CID 122702856
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(2-hydroxyethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 122703159
[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-2-[1-(3-methoxypropyl)indol-2-yl]-1-methylbenzimidazol-5-yl]methanone
CID 122703123
(3-aminopiperidin-1-yl)-[7-methoxy-2-[6-(2-methoxyethyl)thieno[2,3-b]pyrrol-5-yl]-1-methylbenzimidazol-5-yl]methanone;hydrochloride
CID 175107239
(3-aminoazepan-1-yl)-[2-(6-ethylthieno[2,3-b]pyrrol-5-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 155433370
[(3R)-3-aminopiperidin-1-yl]-[2-[7-(cyclopropylmethyl)-2-methylpyrrolo[2,3-d]pyrimidin-6-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 129230157
(3-aminopiperidin-1-yl)-[2-[6-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrazol-5-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;hydrochloride
CID 175106933
(3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-(2-methylsulfonylethyl)benzimidazol-5-yl]methanone
CID 166764349
N-[3-[2-[5-(3-aminopiperidine-1-carbonyl)-7-methoxy-1-methylbenzimidazol-2-yl]-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-9-yl]propyl]acetamide
CID 177126454

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[2-(7-ethylpyrrolo[1,2-b]pyridazin-6-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[2-(7-ethylpyrrolo[1,2-b]pyridazin-6-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone (CID 175107450) is (3-aminopiperidin-1-yl)-[2-(7-ethylpyrrolo[1,2-b]pyridazin-6-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[2-(7-ethylpyrrolo[1,2-b]pyridazin-6-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[2-(7-ethylpyrrolo[1,2-b]pyridazin-6-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone is CCc1c(-c2nc3cc(C(=O)N4CCCC(N)C4)cc(OC)c3n2C)cc2cccnn12.
What is the InChIKey of (3-aminopiperidin-1-yl)-[2-(7-ethylpyrrolo[1,2-b]pyridazin-6-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone?
The InChIKey is AWANJXNMHFXVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-4-20-18(13-17-8-5-9-26-30(17)20)23-27-19-11-15(12-21(32-3)22(19)28(23)2)24(31)29-10-6-7-16(25)14-29/h5,8-9,11-13,16H,4,6-7,10,14,25H2,1-3H3.
What are the key properties of (3-aminopiperidin-1-yl)-[2-(7-ethylpyrrolo[1,2-b]pyridazin-6-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone?
(3-aminopiperidin-1-yl)-[2-(7-ethylpyrrolo[1,2-b]pyridazin-6-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone has a molecular weight of 432.53 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[2-(7-ethylpyrrolo[1,2-b]pyridazin-6-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone is sourced from PubChem (CID 175107450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).