2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-piperazin-1-ylquinazoline-4-carboxamide

C22H22FN7O2 — CID 168977499

IUPAC2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-piperazin-1-ylquinazoline-4-carboxamide
SMILESCNC(=O)c1nc(-c2cc3cn(C)nc3c(F)c2O)nc2ccc(N3CCNCC3)cc12
InChIInChI=1S/C22H22FN7O2/c1-24-22(32)19-14-10-13(30-7-5-25-6-8-30)3-4-16(14)26-21(27-19)15-9-12-11-29(2)28-18(12)17(23)20(15)31/h3-4,9-11,25,31H,5-8H2,1-2H3,(H,24,32)
InChIKeyMXNLVCAEHSPQEG-UHFFFAOYSA-N
MW435.46 g/mol
LogP1.80
Rot. Bonds3

About 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-piperazin-1-ylquinazoline-4-carboxamide

2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-piperazin-1-ylquinazoline-4-carboxamide (PubChem CID 168977499) has the molecular formula C22H22FN7O2 and a molecular weight of 435.46 g/mol. Its IUPAC name is 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-piperazin-1-ylquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-piperazin-1-ylquinazoline-4-carboxamide
PubChem CID168977499
Molecular FormulaC22H22FN7O2
Molecular Weight435.46 g/mol
Exact Mass435.18
IUPAC Name2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-piperazin-1-ylquinazoline-4-carboxamide
SMILESCNC(=O)c1nc(-c2cc3cn(C)nc3c(F)c2O)nc2ccc(N3CCNCC3)cc12
InChIInChI=1S/C22H22FN7O2/c1-24-22(32)19-14-10-13(30-7-5-25-6-8-30)3-4-16(14)26-21(27-19)15-9-12-11-29(2)28-18(12)17(23)20(15)31/h3-4,9-11,25,31H,5-8H2,1-2H3,(H,24,32)
InChIKeyMXNLVCAEHSPQEG-UHFFFAOYSA-N
XLogP1.80
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-piperazin-1-ylquinazoline-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 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-piperazin-1-ylquinazoline-4-carboxamide?
The IUPAC name of 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-piperazin-1-ylquinazoline-4-carboxamide (CID 168977499) is 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-piperazin-1-ylquinazoline-4-carboxamide.
What is the SMILES notation for 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-piperazin-1-ylquinazoline-4-carboxamide?
The canonical SMILES for 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-piperazin-1-ylquinazoline-4-carboxamide is CNC(=O)c1nc(-c2cc3cn(C)nc3c(F)c2O)nc2ccc(N3CCNCC3)cc12.
What is the InChIKey of 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-piperazin-1-ylquinazoline-4-carboxamide?
The InChIKey is MXNLVCAEHSPQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O2/c1-24-22(32)19-14-10-13(30-7-5-25-6-8-30)3-4-16(14)26-21(27-19)15-9-12-11-29(2)28-18(12)17(23)20(15)31/h3-4,9-11,25,31H,5-8H2,1-2H3,(H,24,32).
What are the key properties of 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-piperazin-1-ylquinazoline-4-carboxamide?
2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-piperazin-1-ylquinazoline-4-carboxamide has a molecular weight of 435.46 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-piperazin-1-ylquinazoline-4-carboxamide is sourced from PubChem (CID 168977499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).