4,5-dimethyl-N-[3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide

C25H27N11O — CID 163429025

About 4,5-dimethyl-N-[3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide

4,5-dimethyl-N-[3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 163429025) has the molecular formula C25H27N11O and a molecular weight of 497.57 g/mol. Its IUPAC name is 4,5-dimethyl-N-[3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 4,5-dimethyl-N-[3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 163429025
• Molecular Formula: C25H27N11O
• Molecular Weight: 497.57 g/mol
• Exact Mass: 497.24
• IUPAC Name: 4,5-dimethyl-N-[3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5CC6(CN(C)C6)C5)c4)c3c2)Cn2nnnc2N1C
• InChI: InChI=1S/C25H27N11O/c1-15-19(10-36-24(34(15)3)30-31-32-36)23(37)27-17-4-5-20-18(9-17)22(29-28-20)16-6-7-26-21(8-16)35-13-25(14-35)11-33(2)12-25/h4-9H,10-14H2,1-3H3,(H,27,37)(H,28,29)
• InChIKey: OJVCBDGMEBWUTN-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 123.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.57
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of 4,5-dimethyl-N-[3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 163429025) is 4,5-dimethyl-N-[3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 4,5-dimethyl-N-[3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for 4,5-dimethyl-N-[3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5CC6(CN(C)C6)C5)c4)c3c2)Cn2nnnc2N1C.

What is the InChIKey of 4,5-dimethyl-N-[3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is OJVCBDGMEBWUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N11O/c1-15-19(10-36-24(34(15)3)30-31-32-36)23(37)27-17-4-5-20-18(9-17)22(29-28-20)16-6-7-26-21(8-16)35-13-25(14-35)11-33(2)12-25/h4-9H,10-14H2,1-3H3,(H,27,37)(H,28,29).

What are the key properties of 4,5-dimethyl-N-[3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?

4,5-dimethyl-N-[3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 497.57 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyl-N-[3-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 163429025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).