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

C26H32N12O — CID 156866544

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

N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 156866544) has the molecular formula C26H32N12O and a molecular weight of 528.63 g/mol. Its IUPAC name is N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 156866544
• Molecular Formula: C26H32N12O
• Molecular Weight: 528.63 g/mol
• Exact Mass: 528.28
• IUPAC Name: N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCN(C)[C@@H](C)C5)ncn4)c3c2)C(C)(C)n2nnnc2N1C
• InChI: InChI=1S/C26H32N12O/c1-15-13-37(10-9-35(15)5)21-12-20(27-14-28-21)23-18-11-17(7-8-19(18)30-31-23)29-24(39)22-16(2)36(6)25-32-33-34-38(25)26(22,3)4/h7-8,11-12,14-15H,9-10,13H2,1-6H3,(H,29,39)(H,30,31)/t15-/m0/s1
• InChIKey: PAUAVPULIMXYPJ-HNNXBMFYSA-N
• XLogP: 2.24
• TPSA: 136.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.63
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 156866544) is N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCN(C)[C@@H](C)C5)ncn4)c3c2)C(C)(C)n2nnnc2N1C.

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

The InChIKey is PAUAVPULIMXYPJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H32N12O/c1-15-13-37(10-9-35(15)5)21-12-20(27-14-28-21)23-18-11-17(7-8-19(18)30-31-23)29-24(39)22-16(2)36(6)25-32-33-34-38(25)26(22,3)4/h7-8,11-12,14-15H,9-10,13H2,1-6H3,(H,29,39)(H,30,31)/t15-/m0/s1.

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

N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 528.63 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 156866544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).