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

C₂₄H₂₇N₁₁O₂ — CID 156866762

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

4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 156866762) has the molecular formula C₂₄H₂₇N₁₁O₂ and a molecular weight of 501.56 g/mol. Its IUPAC name is 4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 156866762
• Molecular Formula: C₂₄H₂₇N₁₁O₂
• Molecular Weight: 501.56 g/mol
• Exact Mass: 501.23
• IUPAC Name: 4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCO[C@@H](C)C5)ncn4)c3c2)C(C)n2nnnc2N1C
• InChI: InChI=1S/C24H27N11O2/c1-13-11-34(7-8-37-13)20-10-19(25-12-26-20)22-17-9-16(5-6-18(17)28-29-22)27-23(36)21-14(2)33(4)24-30-31-32-35(24)15(21)3/h5-6,9-10,12-13,15H,7-8,11H2,1-4H3,(H,27,36)(H,28,29)/t13-,15?/m0/s1
• InChIKey: SVNVLBFMVWLEQV-CFMCSPIPSA-N
• XLogP: 2.15
• TPSA: 142.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.56
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 156866762) is 4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for 4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCO[C@@H](C)C5)ncn4)c3c2)C(C)n2nnnc2N1C.

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

The InChIKey is SVNVLBFMVWLEQV-CFMCSPIPSA-N. The full InChI is InChI=1S/C24H27N11O2/c1-13-11-34(7-8-37-13)20-10-19(25-12-26-20)22-17-9-16(5-6-18(17)28-29-22)27-23(36)21-14(2)33(4)24-30-31-32-35(24)15(21)3/h5-6,9-10,12-13,15H,7-8,11H2,1-4H3,(H,27,36)(H,28,29)/t13-,15?/m0/s1.

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

4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 501.56 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 156866762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156866762 — identifiers, structure, computed properties (public domain)

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