6-(4,7-diazaspiro[2.5]octan-7-yl)-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide

C24H24FN7O2 — CID 168977352

IUPAC6-(4,7-diazaspiro[2.5]octan-7-yl)-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide
SMILESCNC(=O)c1nc(-c2cc3cn(C)nc3c(F)c2O)nc2ccc(N3CCNC4(CC4)C3)cc12
InChIInChI=1S/C24H24FN7O2/c1-26-23(34)20-15-10-14(32-8-7-27-24(12-32)5-6-24)3-4-17(15)28-22(29-20)16-9-13-11-31(2)30-19(13)18(25)21(16)33/h3-4,9-11,27,33H,5-8,12H2,1-2H3,(H,26,34)
InChIKeyMZXSAPYJVLVXTQ-UHFFFAOYSA-N
MW461.50 g/mol
LogP2.33
Rot. Bonds3

About 6-(4,7-diazaspiro[2.5]octan-7-yl)-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide

6-(4,7-diazaspiro[2.5]octan-7-yl)-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide (PubChem CID 168977352) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is 6-(4,7-diazaspiro[2.5]octan-7-yl)-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide.

Molecular Properties

Compound Name6-(4,7-diazaspiro[2.5]octan-7-yl)-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide
PubChem CID168977352
Molecular FormulaC24H24FN7O2
Molecular Weight461.50 g/mol
Exact Mass461.20
IUPAC Name6-(4,7-diazaspiro[2.5]octan-7-yl)-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide
SMILESCNC(=O)c1nc(-c2cc3cn(C)nc3c(F)c2O)nc2ccc(N3CCNC4(CC4)C3)cc12
InChIInChI=1S/C24H24FN7O2/c1-26-23(34)20-15-10-14(32-8-7-27-24(12-32)5-6-24)3-4-17(15)28-22(29-20)16-9-13-11-31(2)30-19(13)18(25)21(16)33/h3-4,9-11,27,33H,5-8,12H2,1-2H3,(H,26,34)
InChIKeyMZXSAPYJVLVXTQ-UHFFFAOYSA-N
XLogP2.33
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-(4,7-diazaspiro[2.5]octan-7-yl)-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4,7-diazaspiro[2.5]octan-7-yl)-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide?
The IUPAC name of 6-(4,7-diazaspiro[2.5]octan-7-yl)-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide (CID 168977352) is 6-(4,7-diazaspiro[2.5]octan-7-yl)-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide.
What is the SMILES notation for 6-(4,7-diazaspiro[2.5]octan-7-yl)-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide?
The canonical SMILES for 6-(4,7-diazaspiro[2.5]octan-7-yl)-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide is CNC(=O)c1nc(-c2cc3cn(C)nc3c(F)c2O)nc2ccc(N3CCNC4(CC4)C3)cc12.
What is the InChIKey of 6-(4,7-diazaspiro[2.5]octan-7-yl)-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide?
The InChIKey is MZXSAPYJVLVXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O2/c1-26-23(34)20-15-10-14(32-8-7-27-24(12-32)5-6-24)3-4-17(15)28-22(29-20)16-9-13-11-31(2)30-19(13)18(25)21(16)33/h3-4,9-11,27,33H,5-8,12H2,1-2H3,(H,26,34).
What are the key properties of 6-(4,7-diazaspiro[2.5]octan-7-yl)-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide?
6-(4,7-diazaspiro[2.5]octan-7-yl)-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide has a molecular weight of 461.50 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,7-diazaspiro[2.5]octan-7-yl)-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide is sourced from PubChem (CID 168977352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).