3-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide

C19H18F3N5O2 — CID 54581168

IUPAC3-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(N[C@H](c1ccccn1)C(F)(F)F)c1nc(N2CCOCC2)n2ccccc12
InChIInChI=1S/C19H18F3N5O2/c20-19(21,22)16(13-5-1-3-7-23-13)25-17(28)15-14-6-2-4-8-27(14)18(24-15)26-9-11-29-12-10-26/h1-8,16H,9-12H2,(H,25,28)/t16-/m1/s1
InChIKeyFKNCVLQSUDOQES-MRXNPFEDSA-N
MW405.38 g/mol
LogP2.60
Rot. Bonds4

About 3-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide

3-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 54581168) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID54581168
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC Name3-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(N[C@H](c1ccccn1)C(F)(F)F)c1nc(N2CCOCC2)n2ccccc12
InChIInChI=1S/C19H18F3N5O2/c20-19(21,22)16(13-5-1-3-7-23-13)25-17(28)15-14-6-2-4-8-27(14)18(24-15)26-9-11-29-12-10-26/h1-8,16H,9-12H2,(H,25,28)/t16-/m1/s1
InChIKeyFKNCVLQSUDOQES-MRXNPFEDSA-N
XLogP2.60
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide (CID 54581168) is 3-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide is O=C(N[C@H](c1ccccn1)C(F)(F)F)c1nc(N2CCOCC2)n2ccccc12.
What is the InChIKey of 3-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is FKNCVLQSUDOQES-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c20-19(21,22)16(13-5-1-3-7-23-13)25-17(28)15-14-6-2-4-8-27(14)18(24-15)26-9-11-29-12-10-26/h1-8,16H,9-12H2,(H,25,28)/t16-/m1/s1.
What are the key properties of 3-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide?
3-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 405.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 54581168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).