6-(3,5-dimethylpiperazin-1-yl)-2-(7-fluoro-2-methylindazol-5-yl)quinazoline

C22H23FN6 — CID 168977015

IUPAC6-(3,5-dimethylpiperazin-1-yl)-2-(7-fluoro-2-methylindazol-5-yl)quinazoline
SMILESCC1CN(c2ccc3nc(-c4cc(F)c5nn(C)cc5c4)ncc3c2)CC(C)N1
InChIInChI=1S/C22H23FN6/c1-13-10-29(11-14(2)25-13)18-4-5-20-16(7-18)9-24-22(26-20)15-6-17-12-28(3)27-21(17)19(23)8-15/h4-9,12-14,25H,10-11H2,1-3H3
InChIKeyRSDGIMUHANFZAW-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.51
Rot. Bonds2

About 6-(3,5-dimethylpiperazin-1-yl)-2-(7-fluoro-2-methylindazol-5-yl)quinazoline

6-(3,5-dimethylpiperazin-1-yl)-2-(7-fluoro-2-methylindazol-5-yl)quinazoline (PubChem CID 168977015) has the molecular formula C22H23FN6 and a molecular weight of 390.47 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperazin-1-yl)-2-(7-fluoro-2-methylindazol-5-yl)quinazoline.

Molecular Properties

Compound Name6-(3,5-dimethylpiperazin-1-yl)-2-(7-fluoro-2-methylindazol-5-yl)quinazoline
PubChem CID168977015
Molecular FormulaC22H23FN6
Molecular Weight390.47 g/mol
Exact Mass390.20
IUPAC Name6-(3,5-dimethylpiperazin-1-yl)-2-(7-fluoro-2-methylindazol-5-yl)quinazoline
SMILESCC1CN(c2ccc3nc(-c4cc(F)c5nn(C)cc5c4)ncc3c2)CC(C)N1
InChIInChI=1S/C22H23FN6/c1-13-10-29(11-14(2)25-13)18-4-5-20-16(7-18)9-24-22(26-20)15-6-17-12-28(3)27-21(17)19(23)8-15/h4-9,12-14,25H,10-11H2,1-3H3
InChIKeyRSDGIMUHANFZAW-UHFFFAOYSA-N
XLogP3.51
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,5-dimethylpiperazin-1-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)quinazoline
CID 168977126
6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline
CID 170007092
6-(3,5-dimethylpiperazin-1-yl)-2-[8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinazoline
CID 168977017
5-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]quinazolin-2-yl]-2-methylindazole-7-carbonitrile
CID 170008803
2,7-dimethyl-5-[6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazolin-2-yl]indazol-6-ol
CID 168977057
6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide
CID 168978177
6-(3,5-dimethylpiperazin-1-yl)-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)quinazoline-4-carbonitrile
CID 168977109
5-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methylquinazolin-2-yl]-2,7-dimethylindazol-6-ol
CID 168977838
8-cyclopropyl-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)isoquinolin-1-amine
CID 176567493
3-(7-fluoro-2-methylindazol-5-yl)-6-piperazin-1-ylquinazolin-4-one
CID 156888276
N-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-fluoro-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
CID 176566226
5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-8-fluoroquinolin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978120

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpiperazin-1-yl)-2-(7-fluoro-2-methylindazol-5-yl)quinazoline?
The IUPAC name of 6-(3,5-dimethylpiperazin-1-yl)-2-(7-fluoro-2-methylindazol-5-yl)quinazoline (CID 168977015) is 6-(3,5-dimethylpiperazin-1-yl)-2-(7-fluoro-2-methylindazol-5-yl)quinazoline.
What is the SMILES notation for 6-(3,5-dimethylpiperazin-1-yl)-2-(7-fluoro-2-methylindazol-5-yl)quinazoline?
The canonical SMILES for 6-(3,5-dimethylpiperazin-1-yl)-2-(7-fluoro-2-methylindazol-5-yl)quinazoline is CC1CN(c2ccc3nc(-c4cc(F)c5nn(C)cc5c4)ncc3c2)CC(C)N1.
What is the InChIKey of 6-(3,5-dimethylpiperazin-1-yl)-2-(7-fluoro-2-methylindazol-5-yl)quinazoline?
The InChIKey is RSDGIMUHANFZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6/c1-13-10-29(11-14(2)25-13)18-4-5-20-16(7-18)9-24-22(26-20)15-6-17-12-28(3)27-21(17)19(23)8-15/h4-9,12-14,25H,10-11H2,1-3H3.
What are the key properties of 6-(3,5-dimethylpiperazin-1-yl)-2-(7-fluoro-2-methylindazol-5-yl)quinazoline?
6-(3,5-dimethylpiperazin-1-yl)-2-(7-fluoro-2-methylindazol-5-yl)quinazoline has a molecular weight of 390.47 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpiperazin-1-yl)-2-(7-fluoro-2-methylindazol-5-yl)quinazoline is sourced from PubChem (CID 168977015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).