6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-hydroxy-2-methylindazol-5-yl)quinazoline-4-carboxamide

C23H25N7O2 — CID 168977071

IUPAC6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-hydroxy-2-methylindazol-5-yl)quinazoline-4-carboxamide
SMILESC[C@@H]1CN(c2ccc3nc(-c4cc5cn(C)nc5cc4O)nc(C(N)=O)c3c2)C[C@@H](C)N1
InChIInChI=1S/C23H25N7O2/c1-12-9-30(10-13(2)25-12)15-4-5-18-16(7-15)21(22(24)32)27-23(26-18)17-6-14-11-29(3)28-19(14)8-20(17)31/h4-8,11-13,25,31H,9-10H2,1-3H3,(H2,24,32)/t12-,13-/m1/s1
InChIKeyRVBZLCZYFOKDBC-CHWSQXEVSA-N
MW431.50 g/mol
LogP2.17
Rot. Bonds3

About 6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-hydroxy-2-methylindazol-5-yl)quinazoline-4-carboxamide

6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-hydroxy-2-methylindazol-5-yl)quinazoline-4-carboxamide (PubChem CID 168977071) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-hydroxy-2-methylindazol-5-yl)quinazoline-4-carboxamide.

Molecular Properties

Compound Name6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-hydroxy-2-methylindazol-5-yl)quinazoline-4-carboxamide
PubChem CID168977071
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-hydroxy-2-methylindazol-5-yl)quinazoline-4-carboxamide
SMILESC[C@@H]1CN(c2ccc3nc(-c4cc5cn(C)nc5cc4O)nc(C(N)=O)c3c2)C[C@@H](C)N1
InChIInChI=1S/C23H25N7O2/c1-12-9-30(10-13(2)25-12)15-4-5-18-16(7-15)21(22(24)32)27-23(26-18)17-6-14-11-29(3)28-19(14)8-20(17)31/h4-8,11-13,25,31H,9-10H2,1-3H3,(H2,24,32)/t12-,13-/m1/s1
InChIKeyRVBZLCZYFOKDBC-CHWSQXEVSA-N
XLogP2.17
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-hydroxy-2-methylindazol-5-yl)quinazoline-4-carboxamide?
The IUPAC name of 6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-hydroxy-2-methylindazol-5-yl)quinazoline-4-carboxamide (CID 168977071) is 6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-hydroxy-2-methylindazol-5-yl)quinazoline-4-carboxamide.
What is the SMILES notation for 6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-hydroxy-2-methylindazol-5-yl)quinazoline-4-carboxamide?
The canonical SMILES for 6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-hydroxy-2-methylindazol-5-yl)quinazoline-4-carboxamide is C[C@@H]1CN(c2ccc3nc(-c4cc5cn(C)nc5cc4O)nc(C(N)=O)c3c2)C[C@@H](C)N1.
What is the InChIKey of 6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-hydroxy-2-methylindazol-5-yl)quinazoline-4-carboxamide?
The InChIKey is RVBZLCZYFOKDBC-CHWSQXEVSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-12-9-30(10-13(2)25-12)15-4-5-18-16(7-15)21(22(24)32)27-23(26-18)17-6-14-11-29(3)28-19(14)8-20(17)31/h4-8,11-13,25,31H,9-10H2,1-3H3,(H2,24,32)/t12-,13-/m1/s1.
What are the key properties of 6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-hydroxy-2-methylindazol-5-yl)quinazoline-4-carboxamide?
6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-hydroxy-2-methylindazol-5-yl)quinazoline-4-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-hydroxy-2-methylindazol-5-yl)quinazoline-4-carboxamide is sourced from PubChem (CID 168977071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).