(7S)-N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide

C26H31N11O — CID 156866845

About (7S)-N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide

(7S)-N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 156866845) has the molecular formula C26H31N11O and a molecular weight of 513.61 g/mol. Its IUPAC name is (7S)-N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: (7S)-N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 156866845
• Molecular Formula: C26H31N11O
• Molecular Weight: 513.61 g/mol
• Exact Mass: 513.27
• IUPAC Name: (7S)-N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CCN1CCN(c2cc(-c3n[nH]c4ccc(NC(=O)C5=C(C)N(C)c6nnnn6[C@H]5C)cc34)ccn2)CC1
• InChI: InChI=1S/C26H31N11O/c1-5-35-10-12-36(13-11-35)22-14-18(8-9-27-22)24-20-15-19(6-7-21(20)29-30-24)28-25(38)23-16(2)34(4)26-31-32-33-37(26)17(23)3/h6-9,14-15,17H,5,10-13H2,1-4H3,(H,28,38)(H,29,30)/t17-/m0/s1
• InChIKey: GEOGIZKRIGISJS-KRWDZBQOSA-N
• XLogP: 2.68
• TPSA: 123.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.61
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (7S)-N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of (7S)-N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 156866845) is (7S)-N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for (7S)-N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for (7S)-N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is CCN1CCN(c2cc(-c3n[nH]c4ccc(NC(=O)C5=C(C)N(C)c6nnnn6[C@H]5C)cc34)ccn2)CC1.

What is the InChIKey of (7S)-N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is GEOGIZKRIGISJS-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H31N11O/c1-5-35-10-12-36(13-11-35)22-14-18(8-9-27-22)24-20-15-19(6-7-21(20)29-30-24)28-25(38)23-16(2)34(4)26-31-32-33-37(26)17(23)3/h6-9,14-15,17H,5,10-13H2,1-4H3,(H,28,38)(H,29,30)/t17-/m0/s1.

What are the key properties of (7S)-N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?

(7S)-N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 513.61 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 156866845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).