6-cyclobutyl-1-[2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazole

C23H28N6O — CID 138550143

IUPAC6-cyclobutyl-1-[2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazole
SMILESCc1nc(N2CCN(C3COC3)CC2)cc(-n2ncc3ccc(C4CCC4)cc32)n1
InChIInChI=1S/C23H28N6O/c1-16-25-22(28-9-7-27(8-10-28)20-14-30-15-20)12-23(26-16)29-21-11-18(17-3-2-4-17)5-6-19(21)13-24-29/h5-6,11-13,17,20H,2-4,7-10,14-15H2,1H3
InChIKeyUYGURVYRCGXGNT-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.91
Rot. Bonds4

About 6-cyclobutyl-1-[2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazole

6-cyclobutyl-1-[2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazole (PubChem CID 138550143) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 6-cyclobutyl-1-[2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazole.

Molecular Properties

Compound Name6-cyclobutyl-1-[2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazole
PubChem CID138550143
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name6-cyclobutyl-1-[2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazole
SMILESCc1nc(N2CCN(C3COC3)CC2)cc(-n2ncc3ccc(C4CCC4)cc32)n1
InChIInChI=1S/C23H28N6O/c1-16-25-22(28-9-7-27(8-10-28)20-14-30-15-20)12-23(26-16)29-21-11-18(17-3-2-4-17)5-6-19(21)13-24-29/h5-6,11-13,17,20H,2-4,7-10,14-15H2,1H3
InChIKeyUYGURVYRCGXGNT-UHFFFAOYSA-N
XLogP2.91
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-methyl-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholine
CID 126485757
1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-ol
CID 135276399
1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]-3-methylazetidin-3-ol
CID 135276394
(1S,4S)-5-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 153284271
(1R,4R)-5-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 153284202
4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine
CID 71846233
4-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]piperazine-1-carboxylic acid
CID 146441155
1-[6-[6-[3-fluoro-1-(oxolan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-ol
CID 135276355
(1S,4S)-5-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 153284237
[(2S)-4-[2-methyl-6-[5-methyl-6-(oxan-3-yl)indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
CID 126485704
[(2R)-4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
CID 126485821
6-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-1-[2-methoxy-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-5-methylindazole
CID 135279661

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-1-[2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazole?
The IUPAC name of 6-cyclobutyl-1-[2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazole (CID 138550143) is 6-cyclobutyl-1-[2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazole.
What is the SMILES notation for 6-cyclobutyl-1-[2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazole?
The canonical SMILES for 6-cyclobutyl-1-[2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazole is Cc1nc(N2CCN(C3COC3)CC2)cc(-n2ncc3ccc(C4CCC4)cc32)n1.
What is the InChIKey of 6-cyclobutyl-1-[2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazole?
The InChIKey is UYGURVYRCGXGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-16-25-22(28-9-7-27(8-10-28)20-14-30-15-20)12-23(26-16)29-21-11-18(17-3-2-4-17)5-6-19(21)13-24-29/h5-6,11-13,17,20H,2-4,7-10,14-15H2,1H3.
What are the key properties of 6-cyclobutyl-1-[2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazole?
6-cyclobutyl-1-[2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazole has a molecular weight of 404.52 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-1-[2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazole is sourced from PubChem (CID 138550143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).