1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6-(1-methylcyclobutyl)indazole

C19H22N4O — CID 156518949

IUPAC1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6-(1-methylcyclobutyl)indazole
SMILESCOCc1nc(C)cc(-n2ncc3ccc(C4(C)CCC4)cc32)n1
InChIInChI=1S/C19H22N4O/c1-13-9-18(22-17(21-13)12-24-3)23-16-10-15(19(2)7-4-8-19)6-5-14(16)11-20-23/h5-6,9-11H,4,7-8,12H2,1-3H3
InChIKeyNTIKZWCCYAENPT-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.71
Rot. Bonds4

About 1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6-(1-methylcyclobutyl)indazole

1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6-(1-methylcyclobutyl)indazole (PubChem CID 156518949) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6-(1-methylcyclobutyl)indazole.

Molecular Properties

Compound Name1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6-(1-methylcyclobutyl)indazole
PubChem CID156518949
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6-(1-methylcyclobutyl)indazole
SMILESCOCc1nc(C)cc(-n2ncc3ccc(C4(C)CCC4)cc32)n1
InChIInChI=1S/C19H22N4O/c1-13-9-18(22-17(21-13)12-24-3)23-16-10-15(19(2)7-4-8-19)6-5-14(16)11-20-23/h5-6,9-11H,4,7-8,12H2,1-3H3
InChIKeyNTIKZWCCYAENPT-UHFFFAOYSA-N
XLogP3.71
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 138544336
(2S)-2-[1-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 156518851
1-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]cyclopropane-1-carbonitrile
CID 138550416
2-[2-[6-[6-(1-methylcyclobutyl)indazol-1-yl]pyrimidin-4-yl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol
CID 138550296
(1R,5R)-3-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane
CID 98204954
1-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]cyclobutane-1-carbonitrile
CID 138550127
(2S)-2-[1-(6-ethyl-2-methylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 156519014
4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 133336876
2-[2-[6-fluoro-4-[6-(1-methylcyclobutyl)indazol-1-yl]-2-pyridinyl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol
CID 138550436
2-(methoxymethyl)-4-methyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine
CID 126822851
(3aS,7aS)-2-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-1,3,3a,4,7,7a-hexahydroisoindole
CID 95971172
4-[4-(3-fluoropropyl)piperazin-1-yl]-2-(methoxymethyl)-6-methylpyrimidine
CID 125424003

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6-(1-methylcyclobutyl)indazole?
The IUPAC name of 1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6-(1-methylcyclobutyl)indazole (CID 156518949) is 1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6-(1-methylcyclobutyl)indazole.
What is the SMILES notation for 1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6-(1-methylcyclobutyl)indazole?
The canonical SMILES for 1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6-(1-methylcyclobutyl)indazole is COCc1nc(C)cc(-n2ncc3ccc(C4(C)CCC4)cc32)n1.
What is the InChIKey of 1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6-(1-methylcyclobutyl)indazole?
The InChIKey is NTIKZWCCYAENPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-9-18(22-17(21-13)12-24-3)23-16-10-15(19(2)7-4-8-19)6-5-14(16)11-20-23/h5-6,9-11H,4,7-8,12H2,1-3H3.
What are the key properties of 1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6-(1-methylcyclobutyl)indazole?
1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6-(1-methylcyclobutyl)indazole has a molecular weight of 322.41 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6-(1-methylcyclobutyl)indazole is sourced from PubChem (CID 156518949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).