2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide

C23H24FN7O2 — CID 168977007

IUPAC2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide
SMILESCNC(=O)c1nc(-c2cc3cn(C)nc3c(F)c2O)nc2ccc(N3CCNC(C)C3)cc12
InChIInChI=1S/C23H24FN7O2/c1-12-10-31(7-6-26-12)14-4-5-17-15(9-14)20(23(33)25-2)28-22(27-17)16-8-13-11-30(3)29-19(13)18(24)21(16)32/h4-5,8-9,11-12,26,32H,6-7,10H2,1-3H3,(H,25,33)
InChIKeyLKHLXXQXGTWBEK-UHFFFAOYSA-N
MW449.49 g/mol
LogP2.19
Rot. Bonds3

About 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide

2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide (PubChem CID 168977007) has the molecular formula C23H24FN7O2 and a molecular weight of 449.49 g/mol. Its IUPAC name is 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide
PubChem CID168977007
Molecular FormulaC23H24FN7O2
Molecular Weight449.49 g/mol
Exact Mass449.20
IUPAC Name2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide
SMILESCNC(=O)c1nc(-c2cc3cn(C)nc3c(F)c2O)nc2ccc(N3CCNC(C)C3)cc12
InChIInChI=1S/C23H24FN7O2/c1-12-10-31(7-6-26-12)14-4-5-17-15(9-14)20(23(33)25-2)28-22(27-17)16-8-13-11-30(3)29-19(13)18(24)21(16)32/h4-5,8-9,11-12,26,32H,6-7,10H2,1-3H3,(H,25,33)
InChIKeyLKHLXXQXGTWBEK-UHFFFAOYSA-N
XLogP2.19
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide?
The IUPAC name of 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide (CID 168977007) is 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide.
What is the SMILES notation for 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide?
The canonical SMILES for 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide is CNC(=O)c1nc(-c2cc3cn(C)nc3c(F)c2O)nc2ccc(N3CCNC(C)C3)cc12.
What is the InChIKey of 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide?
The InChIKey is LKHLXXQXGTWBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O2/c1-12-10-31(7-6-26-12)14-4-5-17-15(9-14)20(23(33)25-2)28-22(27-17)16-8-13-11-30(3)29-19(13)18(24)21(16)32/h4-5,8-9,11-12,26,32H,6-7,10H2,1-3H3,(H,25,33).
What are the key properties of 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide?
2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methyl-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide has a molecular weight of 449.49 g/mol, XLogP of 2.19, 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-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide is sourced from PubChem (CID 168977007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).