3-cyclopropyl-N-pyrimidin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)

C19H15F6N5O5 — CID 171926477

IUPAC3-cyclopropyl-N-pyrimidin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(Nc1ccncn1)c1nc(C2CC2)n2ccccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C15H13N5O.2C2HF3O2/c21-15(18-12-6-7-16-9-17-12)13-11-3-1-2-8-20(11)14(19-13)10-4-5-10;2*3-2(4,5)1(6)7/h1-3,6-10H,4-5H2,(H,16,17,18,21);2*(H,6,7)
InChIKeyHMKYKUJHSQSOSP-UHFFFAOYSA-N
MW507.35 g/mol
LogP3.52
Rot. Bonds3

About 3-cyclopropyl-N-pyrimidin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)

3-cyclopropyl-N-pyrimidin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 171926477) has the molecular formula C19H15F6N5O5 and a molecular weight of 507.35 g/mol. Its IUPAC name is 3-cyclopropyl-N-pyrimidin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name3-cyclopropyl-N-pyrimidin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID171926477
Molecular FormulaC19H15F6N5O5
Molecular Weight507.35 g/mol
Exact Mass507.10
IUPAC Name3-cyclopropyl-N-pyrimidin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(Nc1ccncn1)c1nc(C2CC2)n2ccccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C15H13N5O.2C2HF3O2/c21-15(18-12-6-7-16-9-17-12)13-11-3-1-2-8-20(11)14(19-13)10-4-5-10;2*3-2(4,5)1(6)7/h1-3,6-10H,4-5H2,(H,16,17,18,21);2*(H,6,7)
InChIKeyHMKYKUJHSQSOSP-UHFFFAOYSA-N
XLogP3.52
TPSA146.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.35
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-pyrimidin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 3-cyclopropyl-N-pyrimidin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 171926477) is 3-cyclopropyl-N-pyrimidin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 3-cyclopropyl-N-pyrimidin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 3-cyclopropyl-N-pyrimidin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) is O=C(Nc1ccncn1)c1nc(C2CC2)n2ccccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 3-cyclopropyl-N-pyrimidin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is HMKYKUJHSQSOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O.2C2HF3O2/c21-15(18-12-6-7-16-9-17-12)13-11-3-1-2-8-20(11)14(19-13)10-4-5-10;2*3-2(4,5)1(6)7/h1-3,6-10H,4-5H2,(H,16,17,18,21);2*(H,6,7).
What are the key properties of 3-cyclopropyl-N-pyrimidin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)?
3-cyclopropyl-N-pyrimidin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 507.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-pyrimidin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171926477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).