2,7-dimethyl-5-[2-[(3S,4R)-3-methyl-4-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]indazol-6-ol

C22H25N7O — CID 168979060

About 2,7-dimethyl-5-[2-[(3S,4R)-3-methyl-4-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]indazol-6-ol

2,7-dimethyl-5-[2-[(3S,4R)-3-methyl-4-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]indazol-6-ol (PubChem CID 168979060) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 2,7-dimethyl-5-[2-[(3S,4R)-3-methyl-4-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]indazol-6-ol.

Molecular Properties

• Compound Name: 2,7-dimethyl-5-[2-[(3S,4R)-3-methyl-4-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]indazol-6-ol
• PubChem CID: 168979060
• Molecular Formula: C22H25N7O
• Molecular Weight: 403.49 g/mol
• Exact Mass: 403.21
• IUPAC Name: 2,7-dimethyl-5-[2-[(3S,4R)-3-methyl-4-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]indazol-6-ol
• SMILES: CN[C@H]1CN(c2cnc3nc(-c4cc5cn(C)nc5c(C)c4O)ccc3n2)C[C@@H]1C
• InChI: InChI=1S/C22H25N7O/c1-12-9-29(11-18(12)23-3)19-8-24-22-17(25-19)6-5-16(26-22)15-7-14-10-28(4)27-20(14)13(2)21(15)30/h5-8,10,12,18,23,30H,9,11H2,1-4H3/t12-,18-/m0/s1
• InChIKey: ACZVJTRFLISRLP-SGTLLEGYSA-N
• XLogP: 2.64
• TPSA: 91.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.49
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5-[2-[(3S,4R)-3-methyl-4-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]indazol-6-ol?

The IUPAC name of 2,7-dimethyl-5-[2-[(3S,4R)-3-methyl-4-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]indazol-6-ol (CID 168979060) is 2,7-dimethyl-5-[2-[(3S,4R)-3-methyl-4-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]indazol-6-ol.

What is the SMILES notation for 2,7-dimethyl-5-[2-[(3S,4R)-3-methyl-4-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]indazol-6-ol?

The canonical SMILES for 2,7-dimethyl-5-[2-[(3S,4R)-3-methyl-4-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]indazol-6-ol is CN[C@H]1CN(c2cnc3nc(-c4cc5cn(C)nc5c(C)c4O)ccc3n2)C[C@@H]1C.

What is the InChIKey of 2,7-dimethyl-5-[2-[(3S,4R)-3-methyl-4-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]indazol-6-ol?

The InChIKey is ACZVJTRFLISRLP-SGTLLEGYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-12-9-29(11-18(12)23-3)19-8-24-22-17(25-19)6-5-16(26-22)15-7-14-10-28(4)27-20(14)13(2)21(15)30/h5-8,10,12,18,23,30H,9,11H2,1-4H3/t12-,18-/m0/s1.

What are the key properties of 2,7-dimethyl-5-[2-[(3S,4R)-3-methyl-4-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]indazol-6-ol?

2,7-dimethyl-5-[2-[(3S,4R)-3-methyl-4-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]indazol-6-ol has a molecular weight of 403.49 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-dimethyl-5-[2-[(3S,4R)-3-methyl-4-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]indazol-6-ol is sourced from PubChem (CID 168979060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).