1-[(3-hydroxypyrrolidin-1-ium-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-3-carboxamide

C22H22N5O2+ — CID 58023813

IUPAC1-[(3-hydroxypyrrolidin-1-ium-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1cccc2cnccc12)c1nc(C[NH+]2CCC(O)C2)c2ccccn12
InChIInChI=1S/C22H21N5O2/c28-16-8-11-26(13-16)14-19-20-6-1-2-10-27(20)21(24-19)22(29)25-18-5-3-4-15-12-23-9-7-17(15)18/h1-7,9-10,12,16,28H,8,11,13-14H2,(H,25,29)/p+1
InChIKeyVPOJDHCZYBPEAO-UHFFFAOYSA-O
MW388.45 g/mol
LogP1.28
Rot. Bonds4

About 1-[(3-hydroxypyrrolidin-1-ium-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-3-carboxamide

1-[(3-hydroxypyrrolidin-1-ium-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 58023813) has the molecular formula C22H22N5O2+ and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-[(3-hydroxypyrrolidin-1-ium-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-hydroxypyrrolidin-1-ium-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-3-carboxamide
PubChem CID58023813
Molecular FormulaC22H22N5O2+
Molecular Weight388.45 g/mol
Exact Mass388.18
IUPAC Name1-[(3-hydroxypyrrolidin-1-ium-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1cccc2cnccc12)c1nc(C[NH+]2CCC(O)C2)c2ccccn12
InChIInChI=1S/C22H21N5O2/c28-16-8-11-26(13-16)14-19-20-6-1-2-10-27(20)21(24-19)22(29)25-18-5-3-4-15-12-23-9-7-17(15)18/h1-7,9-10,12,16,28H,8,11,13-14H2,(H,25,29)/p+1
InChIKeyVPOJDHCZYBPEAO-UHFFFAOYSA-O
XLogP1.28
TPSA83.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-hydroxypyrrolidin-1-ium-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetate
CID 161363984
3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 70943971
N-(4-chlorophenyl)-1-[(3-hydroxypyrrolidin-1-ium-1-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetate
CID 162064119
1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide
CID 58023653
N-(5-chloropyrimidin-2-yl)-1-[(1,1-dioxo-1,4-thiazinan-4-ium-4-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 58023394
N-isoquinolin-5-yl-2-methylbenzamide
CID 110483002
1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-isoquinolin-5-ylurea
CID 69185205
1-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]-N-(4,6-dimethyl-2-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 58023821
1-[(cyclobutylamino)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid
CID 115144695
4-hydroxy-N-isoquinolin-5-ylpyrrolidine-2-carboxamide
CID 43702244
N-isoquinolin-5-yl-3-sulfanylpropanamide
CID 107023450
2-amino-N-isoquinolin-5-ylcyclopropane-1-carboxamide
CID 114995606

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxypyrrolidin-1-ium-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1-[(3-hydroxypyrrolidin-1-ium-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-3-carboxamide (CID 58023813) is 1-[(3-hydroxypyrrolidin-1-ium-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(3-hydroxypyrrolidin-1-ium-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1-[(3-hydroxypyrrolidin-1-ium-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-3-carboxamide is O=C(Nc1cccc2cnccc12)c1nc(C[NH+]2CCC(O)C2)c2ccccn12.
What is the InChIKey of 1-[(3-hydroxypyrrolidin-1-ium-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is VPOJDHCZYBPEAO-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H21N5O2/c28-16-8-11-26(13-16)14-19-20-6-1-2-10-27(20)21(24-19)22(29)25-18-5-3-4-15-12-23-9-7-17(15)18/h1-7,9-10,12,16,28H,8,11,13-14H2,(H,25,29)/p+1.
What are the key properties of 1-[(3-hydroxypyrrolidin-1-ium-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-3-carboxamide?
1-[(3-hydroxypyrrolidin-1-ium-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxypyrrolidin-1-ium-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 58023813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).