7-hydroxy-N-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride

C24H28ClN5O3 — CID 70159674

IUPAC7-hydroxy-N-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cnccc1OCCCN1CCCC1)C1=C(O)CCc2c1nc1ccccn21
InChIInChI=1S/C24H27N5O3.ClH/c30-19-8-7-18-23(27-21-6-1-2-14-29(18)21)22(19)24(31)26-17-16-25-10-9-20(17)32-15-5-13-28-11-3-4-12-28;/h1-2,6,9-10,14,16,30H,3-5,7-8,11-13,15H2,(H,26,31);1H
InChIKeyHDXZUPCHQMBHPC-UHFFFAOYSA-N
MW469.97 g/mol
LogP3.87
Rot. Bonds7

About 7-hydroxy-N-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride

7-hydroxy-N-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride (PubChem CID 70159674) has the molecular formula C24H28ClN5O3 and a molecular weight of 469.97 g/mol. Its IUPAC name is 7-hydroxy-N-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride.

Molecular Properties

Compound Name7-hydroxy-N-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride
PubChem CID70159674
Molecular FormulaC24H28ClN5O3
Molecular Weight469.97 g/mol
Exact Mass469.19
IUPAC Name7-hydroxy-N-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cnccc1OCCCN1CCCC1)C1=C(O)CCc2c1nc1ccccn21
InChIInChI=1S/C24H27N5O3.ClH/c30-19-8-7-18-23(27-21-6-1-2-14-29(18)21)22(19)24(31)26-17-16-25-10-9-20(17)32-15-5-13-28-11-3-4-12-28;/h1-2,6,9-10,14,16,30H,3-5,7-8,11-13,15H2,(H,26,31);1H
InChIKeyHDXZUPCHQMBHPC-UHFFFAOYSA-N
XLogP3.87
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.97
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(diethylamino)ethoxy]-3-pyridinyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
CID 70158154
N-(3-fluoro-4-pyridinyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
CID 70240540
N-(3,4-dimethoxyphenyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
CID 70236571
7-hydroxy-N-(1,2,4-triazin-3-yl)-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
CID 70239756
3-chloro-7-hydroxy-N-phenyl-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
CID 70084408
N-(3-hydroxyphenyl)-2-(pyridin-3-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 56675699
2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid
CID 11108172
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-pyrrolidin-1-ylbutyl)propanamide
CID 84565906
2-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23433113
3-(3-chlorophenyl)-N-[2-(3-piperazin-1-ylpropoxy)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;dihydrochloride
CID 162329103
N-[2-[2-(azepan-1-yl)ethoxy]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 46951715
3-(3-pyrrolidin-1-ylpropoxy)quinolin-2-amine
CID 175884266

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride?
The IUPAC name of 7-hydroxy-N-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride (CID 70159674) is 7-hydroxy-N-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride.
What is the SMILES notation for 7-hydroxy-N-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride?
The canonical SMILES for 7-hydroxy-N-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride is Cl.O=C(Nc1cnccc1OCCCN1CCCC1)C1=C(O)CCc2c1nc1ccccn21.
What is the InChIKey of 7-hydroxy-N-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride?
The InChIKey is HDXZUPCHQMBHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3.ClH/c30-19-8-7-18-23(27-21-6-1-2-14-29(18)21)22(19)24(31)26-17-16-25-10-9-20(17)32-15-5-13-28-11-3-4-12-28;/h1-2,6,9-10,14,16,30H,3-5,7-8,11-13,15H2,(H,26,31);1H.
What are the key properties of 7-hydroxy-N-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride?
7-hydroxy-N-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride has a molecular weight of 469.97 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride is sourced from PubChem (CID 70159674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).