5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-[phenyl(pyridin-4-yl)methyl]pyrazole-4-carboxamide

C28H24N6O2 — CID 45250331

About 5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-[phenyl(pyridin-4-yl)methyl]pyrazole-4-carboxamide

5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-[phenyl(pyridin-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 45250331) has the molecular formula C28H24N6O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is 5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-[phenyl(pyridin-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-[phenyl(pyridin-4-yl)methyl]pyrazole-4-carboxamide
• PubChem CID: 45250331
• Molecular Formula: C28H24N6O2
• Molecular Weight: 476.54 g/mol
• Exact Mass: 476.20
• IUPAC Name: 5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-[phenyl(pyridin-4-yl)methyl]pyrazole-4-carboxamide
• SMILES: Cc1ccc(-c2ccnc(-n3ncc(C(=O)NC(c4ccccc4)c4ccncc4)c3C3CC3)n2)o1
• InChI: InChI=1S/C28H24N6O2/c1-18-7-10-24(36-18)23-13-16-30-28(32-23)34-26(21-8-9-21)22(17-31-34)27(35)33-25(19-5-3-2-4-6-19)20-11-14-29-15-12-20/h2-7,10-17,21,25H,8-9H2,1H3,(H,33,35)
• InChIKey: FQCHKTBSLMKJCM-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.54
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-[phenyl(pyridin-4-yl)methyl]pyrazole-4-carboxamide?

The IUPAC name of 5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-[phenyl(pyridin-4-yl)methyl]pyrazole-4-carboxamide (CID 45250331) is 5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-[phenyl(pyridin-4-yl)methyl]pyrazole-4-carboxamide.

What is the SMILES notation for 5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-[phenyl(pyridin-4-yl)methyl]pyrazole-4-carboxamide?

The canonical SMILES for 5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-[phenyl(pyridin-4-yl)methyl]pyrazole-4-carboxamide is Cc1ccc(-c2ccnc(-n3ncc(C(=O)NC(c4ccccc4)c4ccncc4)c3C3CC3)n2)o1.

What is the InChIKey of 5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-[phenyl(pyridin-4-yl)methyl]pyrazole-4-carboxamide?

The InChIKey is FQCHKTBSLMKJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O2/c1-18-7-10-24(36-18)23-13-16-30-28(32-23)34-26(21-8-9-21)22(17-31-34)27(35)33-25(19-5-3-2-4-6-19)20-11-14-29-15-12-20/h2-7,10-17,21,25H,8-9H2,1H3,(H,33,35).

What are the key properties of 5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-[phenyl(pyridin-4-yl)methyl]pyrazole-4-carboxamide?

5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-[phenyl(pyridin-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 476.54 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-[phenyl(pyridin-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 45250331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).