3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide

C20H18F3N5O3 — CID 57463464

IUPAC3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-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(C(=O)N2CC[C@H](O)C2)n2ccccc12
InChIInChI=1S/C20H18F3N5O3/c21-20(22,23)16(13-5-1-3-8-24-13)26-18(30)15-14-6-2-4-9-28(14)17(25-15)19(31)27-10-7-12(29)11-27/h1-6,8-9,12,16,29H,7,10-11H2,(H,26,30)/t12-,16?/m0/s1
InChIKeyKKVLYHKEUMYHNH-HKALDPMFSA-N
MW433.39 g/mol
LogP1.97
Rot. Bonds4

About 3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide

3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 57463464) has the molecular formula C20H18F3N5O3 and a molecular weight of 433.39 g/mol. Its IUPAC name is 3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID57463464
Molecular FormulaC20H18F3N5O3
Molecular Weight433.39 g/mol
Exact Mass433.14
IUPAC Name3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-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(C(=O)N2CC[C@H](O)C2)n2ccccc12
InChIInChI=1S/C20H18F3N5O3/c21-20(22,23)16(13-5-1-3-8-24-13)26-18(30)15-14-6-2-4-9-28(14)17(25-15)19(31)27-10-7-12(29)11-27/h1-6,8-9,12,16,29H,7,10-11H2,(H,26,30)/t12-,16?/m0/s1
InChIKeyKKVLYHKEUMYHNH-HKALDPMFSA-N
XLogP1.97
TPSA99.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 57463464) is 3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-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(C(=O)N2CC[C@H](O)C2)n2ccccc12.
What is the InChIKey of 3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is KKVLYHKEUMYHNH-HKALDPMFSA-N. The full InChI is InChI=1S/C20H18F3N5O3/c21-20(22,23)16(13-5-1-3-8-24-13)26-18(30)15-14-6-2-4-9-28(14)17(25-15)19(31)27-10-7-12(29)11-27/h1-6,8-9,12,16,29H,7,10-11H2,(H,26,30)/t12-,16?/m0/s1.
What are the key properties of 3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 433.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 57463464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).