4-(5-methyl-1H-indazol-4-yl)-6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)pyrimidine-5-carboxamide

C22H23N7O2 — CID 146330567

About 4-(5-methyl-1H-indazol-4-yl)-6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)pyrimidine-5-carboxamide

4-(5-methyl-1H-indazol-4-yl)-6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)pyrimidine-5-carboxamide (PubChem CID 146330567) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-(5-methyl-1H-indazol-4-yl)-6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-(5-methyl-1H-indazol-4-yl)-6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)pyrimidine-5-carboxamide
• PubChem CID: 146330567
• Molecular Formula: C22H23N7O2
• Molecular Weight: 417.47 g/mol
• Exact Mass: 417.19
• IUPAC Name: 4-(5-methyl-1H-indazol-4-yl)-6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)pyrimidine-5-carboxamide
• SMILES: C=CC(=O)N1CC2(CCN(c3ncnc(-c4c(C)ccc5[nH]ncc45)c3C(N)=O)C2)C1
• InChI: InChI=1S/C22H23N7O2/c1-3-16(30)29-10-22(11-29)6-7-28(9-22)21-18(20(23)31)19(24-12-25-21)17-13(2)4-5-15-14(17)8-26-27-15/h3-5,8,12H,1,6-7,9-11H2,2H3,(H2,23,31)(H,26,27)
• InChIKey: KNXWMFVHMGUWKC-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 121.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.47
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1H-indazol-4-yl)-6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)pyrimidine-5-carboxamide?

The IUPAC name of 4-(5-methyl-1H-indazol-4-yl)-6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)pyrimidine-5-carboxamide (CID 146330567) is 4-(5-methyl-1H-indazol-4-yl)-6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)pyrimidine-5-carboxamide.

What is the SMILES notation for 4-(5-methyl-1H-indazol-4-yl)-6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)pyrimidine-5-carboxamide?

The canonical SMILES for 4-(5-methyl-1H-indazol-4-yl)-6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)pyrimidine-5-carboxamide is C=CC(=O)N1CC2(CCN(c3ncnc(-c4c(C)ccc5[nH]ncc45)c3C(N)=O)C2)C1.

What is the InChIKey of 4-(5-methyl-1H-indazol-4-yl)-6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)pyrimidine-5-carboxamide?

The InChIKey is KNXWMFVHMGUWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-3-16(30)29-10-22(11-29)6-7-28(9-22)21-18(20(23)31)19(24-12-25-21)17-13(2)4-5-15-14(17)8-26-27-15/h3-5,8,12H,1,6-7,9-11H2,2H3,(H2,23,31)(H,26,27).

What are the key properties of 4-(5-methyl-1H-indazol-4-yl)-6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)pyrimidine-5-carboxamide?

4-(5-methyl-1H-indazol-4-yl)-6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)pyrimidine-5-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-methyl-1H-indazol-4-yl)-6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 146330567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).