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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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).