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

C25H28FN7O2 — CID 168976995

IUPAC6-[4-(dimethylamino)piperidin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide
SMILESCNC(=O)c1nc(-c2cc3cn(C)nc3c(F)c2O)nc2ccc(N3CCC(N(C)C)CC3)cc12
InChIInChI=1S/C25H28FN7O2/c1-27-25(35)22-17-12-16(33-9-7-15(8-10-33)31(2)3)5-6-19(17)28-24(29-22)18-11-14-13-32(4)30-21(14)20(26)23(18)34/h5-6,11-13,15,34H,7-10H2,1-4H3,(H,27,35)
InChIKeyAITNBAKRNXOCSV-UHFFFAOYSA-N
MW477.54 g/mol
LogP2.92
Rot. Bonds4

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

6-[4-(dimethylamino)piperidin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide (PubChem CID 168976995) has the molecular formula C25H28FN7O2 and a molecular weight of 477.54 g/mol. Its IUPAC name is 6-[4-(dimethylamino)piperidin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide.

Molecular Properties

Compound Name6-[4-(dimethylamino)piperidin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide
PubChem CID168976995
Molecular FormulaC25H28FN7O2
Molecular Weight477.54 g/mol
Exact Mass477.23
IUPAC Name6-[4-(dimethylamino)piperidin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide
SMILESCNC(=O)c1nc(-c2cc3cn(C)nc3c(F)c2O)nc2ccc(N3CCC(N(C)C)CC3)cc12
InChIInChI=1S/C25H28FN7O2/c1-27-25(35)22-17-12-16(33-9-7-15(8-10-33)31(2)3)5-6-19(17)28-24(29-22)18-11-14-13-32(4)30-21(14)20(26)23(18)34/h5-6,11-13,15,34H,7-10H2,1-4H3,(H,27,35)
InChIKeyAITNBAKRNXOCSV-UHFFFAOYSA-N
XLogP2.92
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 52.92
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-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide?
The IUPAC name of 6-[4-(dimethylamino)piperidin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide (CID 168976995) is 6-[4-(dimethylamino)piperidin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide.
What is the SMILES notation for 6-[4-(dimethylamino)piperidin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide?
The canonical SMILES for 6-[4-(dimethylamino)piperidin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide is CNC(=O)c1nc(-c2cc3cn(C)nc3c(F)c2O)nc2ccc(N3CCC(N(C)C)CC3)cc12.
What is the InChIKey of 6-[4-(dimethylamino)piperidin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide?
The InChIKey is AITNBAKRNXOCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN7O2/c1-27-25(35)22-17-12-16(33-9-7-15(8-10-33)31(2)3)5-6-19(17)28-24(29-22)18-11-14-13-32(4)30-21(14)20(26)23(18)34/h5-6,11-13,15,34H,7-10H2,1-4H3,(H,27,35).
What are the key properties of 6-[4-(dimethylamino)piperidin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide?
6-[4-(dimethylamino)piperidin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 2.92, 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-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide is sourced from PubChem (CID 168976995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).