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

C26H28FN7O2 — CID 168977092

IUPAC6-[4-(azetidin-1-yl)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(N4CCC4)CC3)cc12
InChIInChI=1S/C26H28FN7O2/c1-28-26(36)23-18-13-17(34-10-6-16(7-11-34)33-8-3-9-33)4-5-20(18)29-25(30-23)19-12-15-14-32(2)31-22(15)21(27)24(19)35/h4-5,12-14,16,35H,3,6-11H2,1-2H3,(H,28,36)
InChIKeyOKJJWHJEAKOWEO-UHFFFAOYSA-N
MW489.56 g/mol
LogP3.06
Rot. Bonds4

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

6-[4-(azetidin-1-yl)piperidin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide (PubChem CID 168977092) has the molecular formula C26H28FN7O2 and a molecular weight of 489.56 g/mol. Its IUPAC name is 6-[4-(azetidin-1-yl)piperidin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide.

Molecular Properties

Compound Name6-[4-(azetidin-1-yl)piperidin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide
PubChem CID168977092
Molecular FormulaC26H28FN7O2
Molecular Weight489.56 g/mol
Exact Mass489.23
IUPAC Name6-[4-(azetidin-1-yl)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(N4CCC4)CC3)cc12
InChIInChI=1S/C26H28FN7O2/c1-28-26(36)23-18-13-17(34-10-6-16(7-11-34)33-8-3-9-33)4-5-20(18)29-25(30-23)19-12-15-14-32(2)31-22(15)21(27)24(19)35/h4-5,12-14,16,35H,3,6-11H2,1-2H3,(H,28,36)
InChIKeyOKJJWHJEAKOWEO-UHFFFAOYSA-N
XLogP3.06
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(azetidin-1-yl)piperidin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide?
The IUPAC name of 6-[4-(azetidin-1-yl)piperidin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide (CID 168977092) is 6-[4-(azetidin-1-yl)piperidin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide.
What is the SMILES notation for 6-[4-(azetidin-1-yl)piperidin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide?
The canonical SMILES for 6-[4-(azetidin-1-yl)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(N4CCC4)CC3)cc12.
What is the InChIKey of 6-[4-(azetidin-1-yl)piperidin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide?
The InChIKey is OKJJWHJEAKOWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O2/c1-28-26(36)23-18-13-17(34-10-6-16(7-11-34)33-8-3-9-33)4-5-20(18)29-25(30-23)19-12-15-14-32(2)31-22(15)21(27)24(19)35/h4-5,12-14,16,35H,3,6-11H2,1-2H3,(H,28,36).
What are the key properties of 6-[4-(azetidin-1-yl)piperidin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide?
6-[4-(azetidin-1-yl)piperidin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide has a molecular weight of 489.56 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(azetidin-1-yl)piperidin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide is sourced from PubChem (CID 168977092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).