N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine

C23H22N8O — CID 73389263

IUPACN-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine
SMILESCOc1cc(-c2cnc(C)n2C)ccc1Nc1ncc2ccc(-c3cnn(C)c3)nc2n1
InChIInChI=1S/C23H22N8O/c1-14-24-12-20(31(14)3)15-5-8-19(21(9-15)32-4)28-23-25-10-16-6-7-18(27-22(16)29-23)17-11-26-30(2)13-17/h5-13H,1-4H3,(H,25,27,28,29)
InChIKeyYOYBXBVWIJQBRC-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.89
Rot. Bonds5

About N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine

N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 73389263) has the molecular formula C23H22N8O and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine
PubChem CID73389263
Molecular FormulaC23H22N8O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC NameN-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine
SMILESCOc1cc(-c2cnc(C)n2C)ccc1Nc1ncc2ccc(-c3cnn(C)c3)nc2n1
InChIInChI=1S/C23H22N8O/c1-14-24-12-20(31(14)3)15-5-8-19(21(9-15)32-4)28-23-25-10-16-6-7-18(27-22(16)29-23)17-11-26-30(2)13-17/h5-13H,1-4H3,(H,25,27,28,29)
InChIKeyYOYBXBVWIJQBRC-UHFFFAOYSA-N
XLogP3.89
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine
CID 163486587
2-N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 73387151
N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-(2-methylpropyl)pyrazol-4-yl]isoquinolin-3-amine
CID 134266284
N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]isoquinolin-3-amine
CID 73388432
N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinolin-3-amine
CID 73388688
2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-(3-methylbutyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 90001440
2-[[2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyrido[3,4-d]pyrimidin-8-yl]amino]propanoic acid
CID 90004661
N-[2-chloro-4-(2,3-dimethylimidazol-4-yl)phenyl]-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine
CID 66546350
8-N-(3-methoxy-2,2-dimethylpropyl)-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73386983
4-[[5-chloro-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methoxybenzaldehyde
CID 167428511
8-cyclopentyl-2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-6,6-dimethylpyrimido[5,4-b][1,4]oxazin-7-one
CID 174297090
2-[[2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyrido[3,4-d]pyrimidin-8-yl]-propylamino]ethanesulfinate
CID 122450916

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine (CID 73389263) is N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine is COc1cc(-c2cnc(C)n2C)ccc1Nc1ncc2ccc(-c3cnn(C)c3)nc2n1.
What is the InChIKey of N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is YOYBXBVWIJQBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O/c1-14-24-12-20(31(14)3)15-5-8-19(21(9-15)32-4)28-23-25-10-16-6-7-18(27-22(16)29-23)17-11-26-30(2)13-17/h5-13H,1-4H3,(H,25,27,28,29).
What are the key properties of N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine?
N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 426.48 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 73389263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).