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

C22H20N8O — CID 163486587

IUPACN-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine
SMILESCOc1cc(-c2cnc(C)n2C)ccc1Nc1ncc2ccc(-c3cn[nH]c3)nc2n1
InChIInChI=1S/C22H20N8O/c1-13-23-12-19(30(13)2)14-4-7-18(20(8-14)31-3)28-22-24-9-15-5-6-17(27-21(15)29-22)16-10-25-26-11-16/h4-12H,1-3H3,(H,25,26)(H,24,27,28,29)
InChIKeyCJBHTXQMYLTOAV-UHFFFAOYSA-N
MW412.46 g/mol
LogP3.88
Rot. Bonds5

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

N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 163486587) has the molecular formula C22H20N8O and a molecular weight of 412.46 g/mol. Its IUPAC name is N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine
PubChem CID163486587
Molecular FormulaC22H20N8O
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC NameN-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine
SMILESCOc1cc(-c2cnc(C)n2C)ccc1Nc1ncc2ccc(-c3cn[nH]c3)nc2n1
InChIInChI=1S/C22H20N8O/c1-13-23-12-19(30(13)2)14-4-7-18(20(8-14)31-3)28-22-24-9-15-5-6-17(27-21(15)29-22)16-10-25-26-11-16/h4-12H,1-3H3,(H,25,26)(H,24,27,28,29)
InChIKeyCJBHTXQMYLTOAV-UHFFFAOYSA-N
XLogP3.88
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine
CID 73389263
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-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine
CID 168990717
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-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinolin-3-amine
CID 73388688
N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]isoquinolin-3-amine
CID 73388432
4-(3-methoxy-4-propan-2-ylphenyl)-1H-pyrazole
CID 154987872
8-N-(2,2-dimethylpropyl)-2-N-[2-methoxy-4-(3-methyltriazol-4-yl)phenyl]-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 91864586
4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole
CID 82113820
6-[4-[2-methoxy-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide
CID 137379458
2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-(3-methylbutyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 90001440
N-[2-(2,3-dimethylimidazol-4-yl)-6-methoxy-4-methylquinolin-7-yl]acetamide
CID 169418075

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine (CID 163486587) is N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1H-pyrazol-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-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine is COc1cc(-c2cnc(C)n2C)ccc1Nc1ncc2ccc(-c3cn[nH]c3)nc2n1.
What is the InChIKey of N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is CJBHTXQMYLTOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O/c1-13-23-12-19(30(13)2)14-4-7-18(20(8-14)31-3)28-22-24-9-15-5-6-17(27-21(15)29-22)16-10-25-26-11-16/h4-12H,1-3H3,(H,25,26)(H,24,27,28,29).
What are the key properties of N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine?
N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 412.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-7-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 163486587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).