N-[1-(1H-indazol-4-yl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine;methane

C19H22N6O — CID 167652006

IUPACN-[1-(1H-indazol-4-yl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine;methane
SMILESC.COc1cc2c(NC(C)c3cccc4[nH]ncc34)nc(C)nc2cn1
InChIInChI=1S/C18H18N6O.CH4/c1-10(12-5-4-6-15-14(12)8-20-24-15)21-18-13-7-17(25-3)19-9-16(13)22-11(2)23-18;/h4-10H,1-3H3,(H,20,24)(H,21,22,23);1H4
InChIKeyQSFXEFLZYSRNMX-UHFFFAOYSA-N
MW350.43 g/mol
LogP4.03
Rot. Bonds4

About N-[1-(1H-indazol-4-yl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine;methane

N-[1-(1H-indazol-4-yl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine;methane (PubChem CID 167652006) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[1-(1H-indazol-4-yl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine;methane.

Molecular Properties

Compound NameN-[1-(1H-indazol-4-yl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine;methane
PubChem CID167652006
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[1-(1H-indazol-4-yl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine;methane
SMILESC.COc1cc2c(NC(C)c3cccc4[nH]ncc34)nc(C)nc2cn1
InChIInChI=1S/C18H18N6O.CH4/c1-10(12-5-4-6-15-14(12)8-20-24-15)21-18-13-7-17(25-3)19-9-16(13)22-11(2)23-18;/h4-10H,1-3H3,(H,20,24)(H,21,22,23);1H4
InChIKeyQSFXEFLZYSRNMX-UHFFFAOYSA-N
XLogP4.03
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-2-methyl-N-[1-(5-methyl-1H-indazol-4-yl)ethyl]quinazolin-4-amine
CID 135336805
4-[(1R)-1-[(6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]benzonitrile
CID 146197383
N-[(1R)-1-(2-fluoro-3-methylphenyl)ethyl]-2-methyl-6-(3-methylphenyl)pyrido[3,4-d]pyrimidin-4-amine
CID 176710227
N-[(1R)-1-isoquinolin-5-ylethyl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 166325349
6,7-dimethoxy-2-methyl-N-[1-(1-methylindazol-4-yl)ethyl]quinazolin-4-amine
CID 135338436
N-[1-(3-bromophenyl)ethyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine
CID 146197424
1-[3-[(1R)-1-[(6-bromo-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-2-fluorophenyl]-1,1-difluoro-2-methylpropan-2-ol
CID 166073257
N-[(1R)-1-(3-bromophenyl)ethyl]-6-[3-(dimethylamino)propoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine
CID 146197349
N-[(1R)-1-(3-bromo-2-fluorophenyl)ethyl]-6-dimethylphosphoryl-2-methylpyrido[3,4-d]pyrimidin-4-amine
CID 166073130
1-[3-[(1R)-1-[(6-bromo-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-2-fluorophenyl]-1,1-difluoro-3-methylbutan-2-one
CID 166073259
4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-6-methoxy-2-methylquinazolin-7-ol
CID 169087318
6,7-dimethoxy-2-methyl-N-[1-(2-methylindazol-7-yl)ethyl]quinazolin-4-amine
CID 146197421

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indazol-4-yl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine;methane?
The IUPAC name of N-[1-(1H-indazol-4-yl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine;methane (CID 167652006) is N-[1-(1H-indazol-4-yl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine;methane.
What is the SMILES notation for N-[1-(1H-indazol-4-yl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine;methane?
The canonical SMILES for N-[1-(1H-indazol-4-yl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine;methane is C.COc1cc2c(NC(C)c3cccc4[nH]ncc34)nc(C)nc2cn1.
What is the InChIKey of N-[1-(1H-indazol-4-yl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine;methane?
The InChIKey is QSFXEFLZYSRNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O.CH4/c1-10(12-5-4-6-15-14(12)8-20-24-15)21-18-13-7-17(25-3)19-9-16(13)22-11(2)23-18;/h4-10H,1-3H3,(H,20,24)(H,21,22,23);1H4.
What are the key properties of N-[1-(1H-indazol-4-yl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine;methane?
N-[1-(1H-indazol-4-yl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine;methane has a molecular weight of 350.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indazol-4-yl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine;methane is sourced from PubChem (CID 167652006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).