3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide

C20H20F3N5O2 — CID 70943964

IUPAC3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NC(c1ccccn1)C(F)(F)F)c1nc(CN2CCC(O)C2)n2ccccc12
InChIInChI=1S/C20H20F3N5O2/c21-20(22,23)18(14-5-1-3-8-24-14)26-19(30)17-15-6-2-4-9-28(15)16(25-17)12-27-10-7-13(29)11-27/h1-6,8-9,13,18,29H,7,10-12H2,(H,26,30)
InChIKeyTWKWBMWWFVPXOI-UHFFFAOYSA-N
MW419.41 g/mol
LogP2.33
Rot. Bonds5

About 3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide

3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 70943964) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is 3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID70943964
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC Name3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NC(c1ccccn1)C(F)(F)F)c1nc(CN2CCC(O)C2)n2ccccc12
InChIInChI=1S/C20H20F3N5O2/c21-20(22,23)18(14-5-1-3-8-24-14)26-19(30)17-15-6-2-4-9-28(15)16(25-17)12-27-10-7-13(29)11-27/h1-6,8-9,13,18,29H,7,10-12H2,(H,26,30)
InChIKeyTWKWBMWWFVPXOI-UHFFFAOYSA-N
XLogP2.33
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 52.33
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-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 70943964) is 3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide is O=C(NC(c1ccccn1)C(F)(F)F)c1nc(CN2CCC(O)C2)n2ccccc12.
What is the InChIKey of 3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is TWKWBMWWFVPXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c21-20(22,23)18(14-5-1-3-8-24-14)26-19(30)17-15-6-2-4-9-28(15)16(25-17)12-27-10-7-13(29)11-27/h1-6,8-9,13,18,29H,7,10-12H2,(H,26,30).
What are the key properties of 3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 419.41 g/mol, XLogP of 2.33, 5 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-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 70943964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).