carbon dioxide;4-(3-fluoro-2-methoxyphenyl)-6-[1-[[6-(2-methylbutan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine

C25H26FN7O3 — CID 161034762

IUPACcarbon dioxide;4-(3-fluoro-2-methoxyphenyl)-6-[1-[[6-(2-methylbutan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine
SMILESCCC(C)(C)c1cccc(Cn2cc(-c3cc(-c4cccc(F)c4OC)nc(N)n3)nn2)n1.O=C=O
InChIInChI=1S/C24H26FN7O.CO2/c1-5-24(2,3)21-11-6-8-15(27-21)13-32-14-20(30-31-32)19-12-18(28-23(26)29-19)16-9-7-10-17(25)22(16)33-4;2-1-3/h6-12,14H,5,13H2,1-4H3,(H2,26,28,29);
InChIKeyUACKNOHAJNYNPI-UHFFFAOYSA-N
MW491.53 g/mol
LogP3.68
Rot. Bonds7

About carbon dioxide;4-(3-fluoro-2-methoxyphenyl)-6-[1-[[6-(2-methylbutan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine

carbon dioxide;4-(3-fluoro-2-methoxyphenyl)-6-[1-[[6-(2-methylbutan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine (PubChem CID 161034762) has the molecular formula C25H26FN7O3 and a molecular weight of 491.53 g/mol. Its IUPAC name is carbon dioxide;4-(3-fluoro-2-methoxyphenyl)-6-[1-[[6-(2-methylbutan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Namecarbon dioxide;4-(3-fluoro-2-methoxyphenyl)-6-[1-[[6-(2-methylbutan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine
PubChem CID161034762
Molecular FormulaC25H26FN7O3
Molecular Weight491.53 g/mol
Exact Mass491.21
IUPAC Namecarbon dioxide;4-(3-fluoro-2-methoxyphenyl)-6-[1-[[6-(2-methylbutan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine
SMILESCCC(C)(C)c1cccc(Cn2cc(-c3cc(-c4cccc(F)c4OC)nc(N)n3)nn2)n1.O=C=O
InChIInChI=1S/C24H26FN7O.CO2/c1-5-24(2,3)21-11-6-8-15(27-21)13-32-14-20(30-31-32)19-12-18(28-23(26)29-19)16-9-7-10-17(25)22(16)33-4;2-1-3/h6-12,14H,5,13H2,1-4H3,(H2,26,28,29);
InChIKeyUACKNOHAJNYNPI-UHFFFAOYSA-N
XLogP3.68
TPSA138.77 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.53
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze carbon dioxide;4-(3-fluoro-2-methoxyphenyl)-6-[1-[[6-(2-methylbutan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-amino-6-[1-[(6-ethyl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-4-yl]-2-methoxybenzonitrile
CID 135272694
3-[2-amino-6-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-4-yl]-2-methoxybenzonitrile
CID 135241619
4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine
CID 164954782
3-[2-amino-6-[1-[[6-[(1R)-1-methoxyethyl]-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-4-yl]-2-fluorobenzonitrile
CID 135256155
4-[1-[[6-[(1S)-1-cyclohexylethyl]-2-pyridinyl]methyl]triazol-4-yl]-6-(2-methoxy-3-methylphenyl)pyrimidin-2-amine
CID 165108579
3-[2-amino-6-[1-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile
CID 135242275
2-[1-[6-[[4-[2-amino-6-(2-fluoro-3-methylphenyl)pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]cyclobutyl]acetic acid
CID 165072461
4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methylphenyl)pyrimidin-2-amine
CID 165100654
2-[6-[[4-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
CID 172812826
4-[1-[(6-ethyl-2-pyridinyl)methyl]triazol-4-yl]-6-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 135272722
3-[6-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]-3-ethylpentanoic acid
CID 135255914
methyl 6-[[4-[2-amino-6-(3-cyano-2-methylphenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-2-carboxylate
CID 156776085

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;4-(3-fluoro-2-methoxyphenyl)-6-[1-[[6-(2-methylbutan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine?
The IUPAC name of carbon dioxide;4-(3-fluoro-2-methoxyphenyl)-6-[1-[[6-(2-methylbutan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine (CID 161034762) is carbon dioxide;4-(3-fluoro-2-methoxyphenyl)-6-[1-[[6-(2-methylbutan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for carbon dioxide;4-(3-fluoro-2-methoxyphenyl)-6-[1-[[6-(2-methylbutan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for carbon dioxide;4-(3-fluoro-2-methoxyphenyl)-6-[1-[[6-(2-methylbutan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine is CCC(C)(C)c1cccc(Cn2cc(-c3cc(-c4cccc(F)c4OC)nc(N)n3)nn2)n1.O=C=O.
What is the InChIKey of carbon dioxide;4-(3-fluoro-2-methoxyphenyl)-6-[1-[[6-(2-methylbutan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine?
The InChIKey is UACKNOHAJNYNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O.CO2/c1-5-24(2,3)21-11-6-8-15(27-21)13-32-14-20(30-31-32)19-12-18(28-23(26)29-19)16-9-7-10-17(25)22(16)33-4;2-1-3/h6-12,14H,5,13H2,1-4H3,(H2,26,28,29);.
What are the key properties of carbon dioxide;4-(3-fluoro-2-methoxyphenyl)-6-[1-[[6-(2-methylbutan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine?
carbon dioxide;4-(3-fluoro-2-methoxyphenyl)-6-[1-[[6-(2-methylbutan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine has a molecular weight of 491.53 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;4-(3-fluoro-2-methoxyphenyl)-6-[1-[[6-(2-methylbutan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 161034762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).