N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide

C24H26N6O3 — CID 167420159

About N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide

N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 167420159) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 167420159
• Molecular Formula: C24H26N6O3
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.21
• IUPAC Name: N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: CC12CCC(c3cn4cc(C(=O)N/C(=C/N)c5ncccn5)c(OC5CC5)cc4n3)(CO1)C2
• InChI: InChI=1S/C24H26N6O3/c1-23-5-6-24(13-23,14-32-23)19-12-30-11-16(18(9-20(30)29-19)33-15-3-4-15)22(31)28-17(10-25)21-26-7-2-8-27-21/h2,7-12,15H,3-6,13-14,25H2,1H3,(H,28,31)/b17-10+
• InChIKey: KQVWOZGHVYWVLE-LICLKQGHSA-N
• XLogP: 2.56
• TPSA: 116.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide (CID 167420159) is N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide is CC12CCC(c3cn4cc(C(=O)N/C(=C/N)c5ncccn5)c(OC5CC5)cc4n3)(CO1)C2.

What is the InChIKey of N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is KQVWOZGHVYWVLE-LICLKQGHSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-23-5-6-24(13-23,14-32-23)19-12-30-11-16(18(9-20(30)29-19)33-15-3-4-15)22(31)28-17(10-25)21-26-7-2-8-27-21/h2,7-12,15H,3-6,13-14,25H2,1H3,(H,28,31)/b17-10+.

What are the key properties of N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide?

N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 167420159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).