3-(1-propan-2-ylimidazol-4-yl)-N-pyridin-3-ylimidazo[1,5-a]pyridine-1-carboxamide

C19H18N6O — CID 97447003

IUPAC3-(1-propan-2-ylimidazol-4-yl)-N-pyridin-3-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)n1cnc(-c2nc(C(=O)Nc3cccnc3)c3ccccn23)c1
InChIInChI=1S/C19H18N6O/c1-13(2)24-11-15(21-12-24)18-23-17(16-7-3-4-9-25(16)18)19(26)22-14-6-5-8-20-10-14/h3-13H,1-2H3,(H,22,26)
InChIKeyXJRNBGGHSAKUBM-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.43
Rot. Bonds4

About 3-(1-propan-2-ylimidazol-4-yl)-N-pyridin-3-ylimidazo[1,5-a]pyridine-1-carboxamide

3-(1-propan-2-ylimidazol-4-yl)-N-pyridin-3-ylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 97447003) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-(1-propan-2-ylimidazol-4-yl)-N-pyridin-3-ylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-(1-propan-2-ylimidazol-4-yl)-N-pyridin-3-ylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID97447003
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name3-(1-propan-2-ylimidazol-4-yl)-N-pyridin-3-ylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)n1cnc(-c2nc(C(=O)Nc3cccnc3)c3ccccn23)c1
InChIInChI=1S/C19H18N6O/c1-13(2)24-11-15(21-12-24)18-23-17(16-7-3-4-9-25(16)18)19(26)22-14-6-5-8-20-10-14/h3-13H,1-2H3,(H,22,26)
InChIKeyXJRNBGGHSAKUBM-UHFFFAOYSA-N
XLogP3.43
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylimidazol-4-yl)-N-pyridin-3-ylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-(1-propan-2-ylimidazol-4-yl)-N-pyridin-3-ylimidazo[1,5-a]pyridine-1-carboxamide (CID 97447003) is 3-(1-propan-2-ylimidazol-4-yl)-N-pyridin-3-ylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-(1-propan-2-ylimidazol-4-yl)-N-pyridin-3-ylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-(1-propan-2-ylimidazol-4-yl)-N-pyridin-3-ylimidazo[1,5-a]pyridine-1-carboxamide is CC(C)n1cnc(-c2nc(C(=O)Nc3cccnc3)c3ccccn23)c1.
What is the InChIKey of 3-(1-propan-2-ylimidazol-4-yl)-N-pyridin-3-ylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is XJRNBGGHSAKUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-13(2)24-11-15(21-12-24)18-23-17(16-7-3-4-9-25(16)18)19(26)22-14-6-5-8-20-10-14/h3-13H,1-2H3,(H,22,26).
What are the key properties of 3-(1-propan-2-ylimidazol-4-yl)-N-pyridin-3-ylimidazo[1,5-a]pyridine-1-carboxamide?
3-(1-propan-2-ylimidazol-4-yl)-N-pyridin-3-ylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylimidazol-4-yl)-N-pyridin-3-ylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 97447003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).