7-[5-chloro-1-(oxan-2-yl)indazol-4-yl]-2-[3-(dimethylamino)azetidin-1-yl]-6-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C26H33ClN6O2 — CID 153422151

IUPAC7-[5-chloro-1-(oxan-2-yl)indazol-4-yl]-2-[3-(dimethylamino)azetidin-1-yl]-6-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCC1Cc2c(nc(N3CC(N(C)C)C3)[nH]c2=O)CC1c1c(Cl)ccc2c1cnn2C1CCCCO1
InChIInChI=1S/C26H33ClN6O2/c1-15-10-18-21(29-26(30-25(18)34)32-13-16(14-32)31(2)3)11-17(15)24-19-12-28-33(22(19)8-7-20(24)27)23-6-4-5-9-35-23/h7-8,12,15-17,23H,4-6,9-11,13-14H2,1-3H3,(H,29,30,34)
InChIKeyWFZMCFLUTFAHHZ-UHFFFAOYSA-N
MW497.04 g/mol
LogP3.74
Rot. Bonds4

About 7-[5-chloro-1-(oxan-2-yl)indazol-4-yl]-2-[3-(dimethylamino)azetidin-1-yl]-6-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one

7-[5-chloro-1-(oxan-2-yl)indazol-4-yl]-2-[3-(dimethylamino)azetidin-1-yl]-6-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 153422151) has the molecular formula C26H33ClN6O2 and a molecular weight of 497.04 g/mol. Its IUPAC name is 7-[5-chloro-1-(oxan-2-yl)indazol-4-yl]-2-[3-(dimethylamino)azetidin-1-yl]-6-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-[5-chloro-1-(oxan-2-yl)indazol-4-yl]-2-[3-(dimethylamino)azetidin-1-yl]-6-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID153422151
Molecular FormulaC26H33ClN6O2
Molecular Weight497.04 g/mol
Exact Mass496.24
IUPAC Name7-[5-chloro-1-(oxan-2-yl)indazol-4-yl]-2-[3-(dimethylamino)azetidin-1-yl]-6-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCC1Cc2c(nc(N3CC(N(C)C)C3)[nH]c2=O)CC1c1c(Cl)ccc2c1cnn2C1CCCCO1
InChIInChI=1S/C26H33ClN6O2/c1-15-10-18-21(29-26(30-25(18)34)32-13-16(14-32)31(2)3)11-17(15)24-19-12-28-33(22(19)8-7-20(24)27)23-6-4-5-9-35-23/h7-8,12,15-17,23H,4-6,9-11,13-14H2,1-3H3,(H,29,30,34)
InChIKeyWFZMCFLUTFAHHZ-UHFFFAOYSA-N
XLogP3.74
TPSA79.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.04
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[5-chloro-1-(oxan-2-yl)indazol-4-yl]-2-[3-(dimethylamino)azetidin-1-yl]-6-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one with MolForge

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Related Compounds

4-[(6R,7R)-7-[6-chloro-5-methyl-1-(oxan-2-yl)indazol-4-yl]-2-[3-(dimethylamino)azetidin-1-yl]-6-methyl-5,6,7,8-tetrahydroquinazolin-4-yl]piperazine-1-carboxylic acid
CID 139396748
methyl (4R,5R)-4-[6-chloro-5-methyl-1-(oxan-2-yl)indazol-4-yl]-2-hydroxy-5-methylcyclohexene-1-carboxylate
CID 139402739
4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine
CID 129373246
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
CID 118798481
4-bromo-5-methyl-1-(oxan-2-yl)indazole
CID 71307646
N-(6-chloro-5-iodo-2-methylpyrimidin-4-yl)-5-methyl-1-(oxan-2-yl)indazol-4-amine
CID 176655147
2-[5-chloro-1-(oxan-2-yl)indazol-4-yl]-2-cyanoacetic acid
CID 121273014
1-[(2S)-oxan-2-yl]indazole
CID 124562379
5-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)methyl]-4-cyclopropyl-1-(oxan-2-yl)indazole
CID 162008756
1-[7-(5-chloro-1-iodophosphanylindazol-4-yl)-4-piperazin-1-yl-5,6,7,8-tetrahydroquinazolin-2-yl]-N,N-dimethylazetidin-3-amine
CID 153334219
[1-[(2S)-oxan-2-yl]indazol-4-yl]boronic acid
CID 125117039

Frequently Asked Questions

What is the IUPAC name of 7-[5-chloro-1-(oxan-2-yl)indazol-4-yl]-2-[3-(dimethylamino)azetidin-1-yl]-6-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 7-[5-chloro-1-(oxan-2-yl)indazol-4-yl]-2-[3-(dimethylamino)azetidin-1-yl]-6-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 153422151) is 7-[5-chloro-1-(oxan-2-yl)indazol-4-yl]-2-[3-(dimethylamino)azetidin-1-yl]-6-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 7-[5-chloro-1-(oxan-2-yl)indazol-4-yl]-2-[3-(dimethylamino)azetidin-1-yl]-6-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 7-[5-chloro-1-(oxan-2-yl)indazol-4-yl]-2-[3-(dimethylamino)azetidin-1-yl]-6-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is CC1Cc2c(nc(N3CC(N(C)C)C3)[nH]c2=O)CC1c1c(Cl)ccc2c1cnn2C1CCCCO1.
What is the InChIKey of 7-[5-chloro-1-(oxan-2-yl)indazol-4-yl]-2-[3-(dimethylamino)azetidin-1-yl]-6-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is WFZMCFLUTFAHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN6O2/c1-15-10-18-21(29-26(30-25(18)34)32-13-16(14-32)31(2)3)11-17(15)24-19-12-28-33(22(19)8-7-20(24)27)23-6-4-5-9-35-23/h7-8,12,15-17,23H,4-6,9-11,13-14H2,1-3H3,(H,29,30,34).
What are the key properties of 7-[5-chloro-1-(oxan-2-yl)indazol-4-yl]-2-[3-(dimethylamino)azetidin-1-yl]-6-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
7-[5-chloro-1-(oxan-2-yl)indazol-4-yl]-2-[3-(dimethylamino)azetidin-1-yl]-6-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 497.04 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-chloro-1-(oxan-2-yl)indazol-4-yl]-2-[3-(dimethylamino)azetidin-1-yl]-6-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 153422151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).