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

C22H21N5O2 — CID 70943971

IUPAC3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(Nc1cccc2cnccc12)c1nc(CN2CCC(O)C2)n2ccccc12
InChIInChI=1S/C22H21N5O2/c28-16-8-11-26(13-16)14-20-25-21(19-6-1-2-10-27(19)20)22(29)24-18-5-3-4-15-12-23-9-7-17(15)18/h1-7,9-10,12,16,28H,8,11,13-14H2,(H,24,29)
InChIKeyOBQFHZZCXULODZ-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.70
Rot. Bonds4

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

3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 70943971) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID70943971
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(Nc1cccc2cnccc12)c1nc(CN2CCC(O)C2)n2ccccc12
InChIInChI=1S/C22H21N5O2/c28-16-8-11-26(13-16)14-20-25-21(19-6-1-2-10-27(19)20)22(29)24-18-5-3-4-15-12-23-9-7-17(15)18/h1-7,9-10,12,16,28H,8,11,13-14H2,(H,24,29)
InChIKeyOBQFHZZCXULODZ-UHFFFAOYSA-N
XLogP2.70
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-1-carboxamide (CID 70943971) is 3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-1-carboxamide is O=C(Nc1cccc2cnccc12)c1nc(CN2CCC(O)C2)n2ccccc12.
What is the InChIKey of 3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is OBQFHZZCXULODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c28-16-8-11-26(13-16)14-20-25-21(19-6-1-2-10-27(19)20)22(29)24-18-5-3-4-15-12-23-9-7-17(15)18/h1-7,9-10,12,16,28H,8,11,13-14H2,(H,24,29).
What are the key properties of 3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-1-carboxamide?
3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 70943971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).