5-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-6-yl]-2-methylindazol-6-ol

C22H23ClN6O — CID 168977488

IUPAC5-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-6-yl]-2-methylindazol-6-ol
SMILESC[C@@H]1CN(c2ncc3c(Cl)c(-c4cc5cn(C)nc5cc4O)ccc3n2)C[C@H](C)N1
InChIInChI=1S/C22H23ClN6O/c1-12-9-29(10-13(2)25-12)22-24-8-17-18(26-22)5-4-15(21(17)23)16-6-14-11-28(3)27-19(14)7-20(16)30/h4-8,11-13,25,30H,9-10H2,1-3H3/t12-,13+
InChIKeyWNWHRVRDMIADPZ-BETUJISGSA-N
MW422.92 g/mol
LogP3.73
Rot. Bonds2

About 5-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-6-yl]-2-methylindazol-6-ol

5-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-6-yl]-2-methylindazol-6-ol (PubChem CID 168977488) has the molecular formula C22H23ClN6O and a molecular weight of 422.92 g/mol. Its IUPAC name is 5-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-6-yl]-2-methylindazol-6-ol.

Molecular Properties

Compound Name5-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-6-yl]-2-methylindazol-6-ol
PubChem CID168977488
Molecular FormulaC22H23ClN6O
Molecular Weight422.92 g/mol
Exact Mass422.16
IUPAC Name5-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-6-yl]-2-methylindazol-6-ol
SMILESC[C@@H]1CN(c2ncc3c(Cl)c(-c4cc5cn(C)nc5cc4O)ccc3n2)C[C@H](C)N1
InChIInChI=1S/C22H23ClN6O/c1-12-9-29(10-13(2)25-12)22-24-8-17-18(26-22)5-4-15(21(17)23)16-6-14-11-28(3)27-19(14)7-20(16)30/h4-8,11-13,25,30H,9-10H2,1-3H3/t12-,13+
InChIKeyWNWHRVRDMIADPZ-BETUJISGSA-N
XLogP3.73
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-6-yl]-2-methylindazol-6-ol with MolForge

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Related Compounds

6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-hydroxy-2-methylindazol-5-yl)quinazoline-4-carboxamide
CID 168977071
6-(3,5-dimethylpiperazin-1-yl)-2-(6-hydroxy-2-methylindazol-5-yl)quinazoline-4-carboxamide
CID 168976998
6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-(6-hydroxy-2-methylindazol-5-yl)quinazoline-4-carboxamide
CID 168976916
5-[4-chloro-6-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2-methylindazol-6-ol
CID 170012675
5-[5-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 170012033
5-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol
CID 162433627
2-(3,5-dimethylpiperazin-1-yl)quinazoline
CID 22636321
2-[6-[[[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-(6-hydroxy-2-methylindazol-5-yl)quinazoline-4-carbonyl]amino]methoxy]-2-methylindazol-5-yl]-N-methyl-6-[(3S)-3-methylpiperazin-1-yl]quinazoline-4-carboxamide
CID 168977292
5-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methylquinazolin-2-yl]-2,7-dimethylindazol-6-ol
CID 168977838
5-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol
CID 168978828
2-methyl-5-(6-piperazin-1-yl-1,5-naphthyridin-2-yl)indazol-6-ol
CID 162433567
5-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978379

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-6-yl]-2-methylindazol-6-ol?
The IUPAC name of 5-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-6-yl]-2-methylindazol-6-ol (CID 168977488) is 5-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-6-yl]-2-methylindazol-6-ol.
What is the SMILES notation for 5-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-6-yl]-2-methylindazol-6-ol?
The canonical SMILES for 5-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-6-yl]-2-methylindazol-6-ol is C[C@@H]1CN(c2ncc3c(Cl)c(-c4cc5cn(C)nc5cc4O)ccc3n2)C[C@H](C)N1.
What is the InChIKey of 5-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-6-yl]-2-methylindazol-6-ol?
The InChIKey is WNWHRVRDMIADPZ-BETUJISGSA-N. The full InChI is InChI=1S/C22H23ClN6O/c1-12-9-29(10-13(2)25-12)22-24-8-17-18(26-22)5-4-15(21(17)23)16-6-14-11-28(3)27-19(14)7-20(16)30/h4-8,11-13,25,30H,9-10H2,1-3H3/t12-,13+.
What are the key properties of 5-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-6-yl]-2-methylindazol-6-ol?
5-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-6-yl]-2-methylindazol-6-ol has a molecular weight of 422.92 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-6-yl]-2-methylindazol-6-ol is sourced from PubChem (CID 168977488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).