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

C27H33N11O — CID 156866535

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

N-[3-[2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 156866535) has the molecular formula C27H33N11O and a molecular weight of 527.64 g/mol. Its IUPAC name is N-[3-[2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 156866535
• Molecular Formula: C27H33N11O
• Molecular Weight: 527.64 g/mol
• Exact Mass: 527.29
• IUPAC Name: N-[3-[2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5CCN(C)[C@@H](C)C5)c4)c3c2)C(C)(C)n2nnnc2N1C
• InChI: InChI=1S/C27H33N11O/c1-16-15-37(12-11-35(16)5)22-13-18(9-10-28-22)24-20-14-19(7-8-21(20)30-31-24)29-25(39)23-17(2)36(6)26-32-33-34-38(26)27(23,3)4/h7-10,13-14,16H,11-12,15H2,1-6H3,(H,29,39)(H,30,31)/t16-/m0/s1
• InChIKey: DZNLUFQWAYPLCY-INIZCTEOSA-N
• XLogP: 2.85
• TPSA: 123.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.64
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[3-[2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 156866535) is N-[3-[2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for N-[3-[2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5CCN(C)[C@@H](C)C5)c4)c3c2)C(C)(C)n2nnnc2N1C.

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

The InChIKey is DZNLUFQWAYPLCY-INIZCTEOSA-N. The full InChI is InChI=1S/C27H33N11O/c1-16-15-37(12-11-35(16)5)22-13-18(9-10-28-22)24-20-14-19(7-8-21(20)30-31-24)29-25(39)23-17(2)36(6)26-32-33-34-38(26)27(23,3)4/h7-10,13-14,16H,11-12,15H2,1-6H3,(H,29,39)(H,30,31)/t16-/m0/s1.

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

N-[3-[2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 527.64 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 156866535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).