1-(morpholin-4-ium-4-ylmethyl)-N-pyridin-2-yl-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide

C19H19F3N5O2+ — CID 58023630

IUPAC1-(morpholin-4-ium-4-ylmethyl)-N-pyridin-2-yl-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1ccccn1)c1nc(C[NH+]2CCOCC2)c2ccc(C(F)(F)F)cn12
InChIInChI=1S/C19H18F3N5O2/c20-19(21,22)13-4-5-15-14(12-26-7-9-29-10-8-26)24-17(27(15)11-13)18(28)25-16-3-1-2-6-23-16/h1-6,11H,7-10,12H2,(H,23,25,28)/p+1
InChIKeyPVLKEUSDCAPBEU-UHFFFAOYSA-O
MW406.39 g/mol
LogP1.42
Rot. Bonds4

About 1-(morpholin-4-ium-4-ylmethyl)-N-pyridin-2-yl-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide

1-(morpholin-4-ium-4-ylmethyl)-N-pyridin-2-yl-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 58023630) has the molecular formula C19H19F3N5O2+ and a molecular weight of 406.39 g/mol. Its IUPAC name is 1-(morpholin-4-ium-4-ylmethyl)-N-pyridin-2-yl-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(morpholin-4-ium-4-ylmethyl)-N-pyridin-2-yl-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID58023630
Molecular FormulaC19H19F3N5O2+
Molecular Weight406.39 g/mol
Exact Mass406.15
IUPAC Name1-(morpholin-4-ium-4-ylmethyl)-N-pyridin-2-yl-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1ccccn1)c1nc(C[NH+]2CCOCC2)c2ccc(C(F)(F)F)cn12
InChIInChI=1S/C19H18F3N5O2/c20-19(21,22)13-4-5-15-14(12-26-7-9-29-10-8-26)24-17(27(15)11-13)18(28)25-16-3-1-2-6-23-16/h1-6,11H,7-10,12H2,(H,23,25,28)/p+1
InChIKeyPVLKEUSDCAPBEU-UHFFFAOYSA-O
XLogP1.42
TPSA72.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(morpholin-4-ium-4-ylmethyl)-N-pyridin-2-yl-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1-(morpholin-4-ium-4-ylmethyl)-N-pyridin-2-yl-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide (CID 58023630) is 1-(morpholin-4-ium-4-ylmethyl)-N-pyridin-2-yl-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-(morpholin-4-ium-4-ylmethyl)-N-pyridin-2-yl-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1-(morpholin-4-ium-4-ylmethyl)-N-pyridin-2-yl-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide is O=C(Nc1ccccn1)c1nc(C[NH+]2CCOCC2)c2ccc(C(F)(F)F)cn12.
What is the InChIKey of 1-(morpholin-4-ium-4-ylmethyl)-N-pyridin-2-yl-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is PVLKEUSDCAPBEU-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H18F3N5O2/c20-19(21,22)13-4-5-15-14(12-26-7-9-29-10-8-26)24-17(27(15)11-13)18(28)25-16-3-1-2-6-23-16/h1-6,11H,7-10,12H2,(H,23,25,28)/p+1.
What are the key properties of 1-(morpholin-4-ium-4-ylmethyl)-N-pyridin-2-yl-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide?
1-(morpholin-4-ium-4-ylmethyl)-N-pyridin-2-yl-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 406.39 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(morpholin-4-ium-4-ylmethyl)-N-pyridin-2-yl-6-(trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 58023630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).