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

C22H22FN7O2 — CID 168977355

IUPAC2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide
SMILESCC1CN(c2ccc3nc(-c4cc5cn(C)nc5c(F)c4O)nc(C(N)=O)c3c2)CCN1
InChIInChI=1S/C22H22FN7O2/c1-11-9-30(6-5-25-11)13-3-4-16-14(8-13)19(21(24)32)27-22(26-16)15-7-12-10-29(2)28-18(12)17(23)20(15)31/h3-4,7-8,10-11,25,31H,5-6,9H2,1-2H3,(H2,24,32)
InChIKeyOYQMOQDBRLSHEZ-UHFFFAOYSA-N
MW435.46 g/mol
LogP1.93
Rot. Bonds3

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

2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide (PubChem CID 168977355) 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)-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide
PubChem CID168977355
Molecular FormulaC22H22FN7O2
Molecular Weight435.46 g/mol
Exact Mass435.18
IUPAC Name2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide
SMILESCC1CN(c2ccc3nc(-c4cc5cn(C)nc5c(F)c4O)nc(C(N)=O)c3c2)CCN1
InChIInChI=1S/C22H22FN7O2/c1-11-9-30(6-5-25-11)13-3-4-16-14(8-13)19(21(24)32)27-22(26-16)15-7-12-10-29(2)28-18(12)17(23)20(15)31/h3-4,7-8,10-11,25,31H,5-6,9H2,1-2H3,(H2,24,32)
InChIKeyOYQMOQDBRLSHEZ-UHFFFAOYSA-N
XLogP1.93
TPSA122.19 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 ≤ 51.93
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)-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide?
The IUPAC name of 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide (CID 168977355) is 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide.
What is the SMILES notation for 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide?
The canonical SMILES for 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide is CC1CN(c2ccc3nc(-c4cc5cn(C)nc5c(F)c4O)nc(C(N)=O)c3c2)CCN1.
What is the InChIKey of 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide?
The InChIKey is OYQMOQDBRLSHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O2/c1-11-9-30(6-5-25-11)13-3-4-16-14(8-13)19(21(24)32)27-22(26-16)15-7-12-10-29(2)28-18(12)17(23)20(15)31/h3-4,7-8,10-11,25,31H,5-6,9H2,1-2H3,(H2,24,32).
What are the key properties of 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide?
2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide has a molecular weight of 435.46 g/mol, XLogP of 1.93, 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)-6-(3-methylpiperazin-1-yl)quinazoline-4-carboxamide is sourced from PubChem (CID 168977355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).