2-cyclopropyl-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide

C23H21N7O3 — CID 166780701

About 2-cyclopropyl-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide

2-cyclopropyl-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide (PubChem CID 166780701) has the molecular formula C23H21N7O3 and a molecular weight of 443.47 g/mol. Its IUPAC name is 2-cyclopropyl-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide
• PubChem CID: 166780701
• Molecular Formula: C23H21N7O3
• Molecular Weight: 443.47 g/mol
• Exact Mass: 443.17
• IUPAC Name: 2-cyclopropyl-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide
• SMILES: Cn1cc(-c2cc(Oc3ccc(NC(=O)c4cnc(C5CC5)n(C)c4=O)nc3)ccn2)cn1
• InChI: InChI=1S/C23H21N7O3/c1-29-13-15(10-27-29)19-9-16(7-8-24-19)33-17-5-6-20(25-11-17)28-22(31)18-12-26-21(14-3-4-14)30(2)23(18)32/h5-14H,3-4H2,1-2H3,(H,25,28,31)
• InChIKey: WNYHZZQORYUPOK-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 116.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.47
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide?

The IUPAC name of 2-cyclopropyl-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide (CID 166780701) is 2-cyclopropyl-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide.

What is the SMILES notation for 2-cyclopropyl-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide?

The canonical SMILES for 2-cyclopropyl-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide is Cn1cc(-c2cc(Oc3ccc(NC(=O)c4cnc(C5CC5)n(C)c4=O)nc3)ccn2)cn1.

What is the InChIKey of 2-cyclopropyl-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide?

The InChIKey is WNYHZZQORYUPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O3/c1-29-13-15(10-27-29)19-9-16(7-8-24-19)33-17-5-6-20(25-11-17)28-22(31)18-12-26-21(14-3-4-14)30(2)23(18)32/h5-14H,3-4H2,1-2H3,(H,25,28,31).

What are the key properties of 2-cyclopropyl-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide?

2-cyclopropyl-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide has a molecular weight of 443.47 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 166780701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).