6-[4-(dimethylamino)piperidin-1-yl]-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-N-methylquinazoline-4-carboxamide

C26H31N7O2 — CID 168977133

IUPAC6-[4-(dimethylamino)piperidin-1-yl]-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-N-methylquinazoline-4-carboxamide
SMILESCNC(=O)c1nc(-c2cc3cn(C)nc3c(C)c2O)nc2ccc(N3CCC(N(C)C)CC3)cc12
InChIInChI=1S/C26H31N7O2/c1-15-22-16(14-32(5)30-22)12-20(24(15)34)25-28-21-7-6-18(13-19(21)23(29-25)26(35)27-2)33-10-8-17(9-11-33)31(3)4/h6-7,12-14,17,34H,8-11H2,1-5H3,(H,27,35)
InChIKeyXWZWRTUPBZTPKT-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.09
Rot. Bonds4

About 6-[4-(dimethylamino)piperidin-1-yl]-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-N-methylquinazoline-4-carboxamide

6-[4-(dimethylamino)piperidin-1-yl]-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-N-methylquinazoline-4-carboxamide (PubChem CID 168977133) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 6-[4-(dimethylamino)piperidin-1-yl]-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-N-methylquinazoline-4-carboxamide.

Molecular Properties

Compound Name6-[4-(dimethylamino)piperidin-1-yl]-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-N-methylquinazoline-4-carboxamide
PubChem CID168977133
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC Name6-[4-(dimethylamino)piperidin-1-yl]-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-N-methylquinazoline-4-carboxamide
SMILESCNC(=O)c1nc(-c2cc3cn(C)nc3c(C)c2O)nc2ccc(N3CCC(N(C)C)CC3)cc12
InChIInChI=1S/C26H31N7O2/c1-15-22-16(14-32(5)30-22)12-20(24(15)34)25-28-21-7-6-18(13-19(21)23(29-25)26(35)27-2)33-10-8-17(9-11-33)31(3)4/h6-7,12-14,17,34H,8-11H2,1-5H3,(H,27,35)
InChIKeyXWZWRTUPBZTPKT-UHFFFAOYSA-N
XLogP3.09
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide
CID 168978177
5-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methylquinazolin-2-yl]-2,7-dimethylindazol-6-ol
CID 168977838
6-[(3R,5S)-3-[[1-[2-(2,8-dimethyl-7-oxo-1H-imidazo[1,2-a]pyridin-6-yl)pyrido[3,2-d]pyrimidin-6-yl]pyrrolidin-3-yl]methyl]-5-methylpiperazin-1-yl]-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-N-methylquinazoline-4-carboxamide
CID 170006054
5-[4-cyclobutyl-6-(3,5-dimethylpiperazin-1-yl)quinazolin-2-yl]-2,7-dimethylindazol-6-ol
CID 168977762
5-[4-cyclopropyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-yl]-7-fluoro-2-methylindazol-6-ol
CID 168977475
7-fluoro-2-methyl-5-[4-(methylamino)-6-piperazin-1-ylquinazolin-2-yl]indazol-6-ol
CID 177078744
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
6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-ethyl-2-(6-hydroxy-2,7-dimethylindazol-5-yl)pyrido[3,2-d]pyrimidine-4-carboxamide
CID 177078834
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
2,7-dimethyl-5-[6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazolin-2-yl]indazol-6-ol
CID 168977057

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)piperidin-1-yl]-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-N-methylquinazoline-4-carboxamide?
The IUPAC name of 6-[4-(dimethylamino)piperidin-1-yl]-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-N-methylquinazoline-4-carboxamide (CID 168977133) is 6-[4-(dimethylamino)piperidin-1-yl]-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-N-methylquinazoline-4-carboxamide.
What is the SMILES notation for 6-[4-(dimethylamino)piperidin-1-yl]-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-N-methylquinazoline-4-carboxamide?
The canonical SMILES for 6-[4-(dimethylamino)piperidin-1-yl]-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-N-methylquinazoline-4-carboxamide is CNC(=O)c1nc(-c2cc3cn(C)nc3c(C)c2O)nc2ccc(N3CCC(N(C)C)CC3)cc12.
What is the InChIKey of 6-[4-(dimethylamino)piperidin-1-yl]-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-N-methylquinazoline-4-carboxamide?
The InChIKey is XWZWRTUPBZTPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-15-22-16(14-32(5)30-22)12-20(24(15)34)25-28-21-7-6-18(13-19(21)23(29-25)26(35)27-2)33-10-8-17(9-11-33)31(3)4/h6-7,12-14,17,34H,8-11H2,1-5H3,(H,27,35).
What are the key properties of 6-[4-(dimethylamino)piperidin-1-yl]-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-N-methylquinazoline-4-carboxamide?
6-[4-(dimethylamino)piperidin-1-yl]-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-N-methylquinazoline-4-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)piperidin-1-yl]-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-N-methylquinazoline-4-carboxamide is sourced from PubChem (CID 168977133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).