N-[2-methoxy-5-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine

C23H22N8O — CID 73386971

IUPACN-[2-methoxy-5-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cc(-c2cnn(C)c2)c(C)cc1Nc1ncc2ccnc(-c3cnn(C)c3)c2n1
InChIInChI=1S/C23H22N8O/c1-14-7-19(20(32-4)8-18(14)16-10-26-30(2)12-16)28-23-25-9-15-5-6-24-21(22(15)29-23)17-11-27-31(3)13-17/h5-13H,1-4H3,(H,25,28,29)
InChIKeyPILYAHUGKPCZGY-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.89
Rot. Bonds5

About N-[2-methoxy-5-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine

N-[2-methoxy-5-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 73386971) has the molecular formula C23H22N8O and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[2-methoxy-5-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-methoxy-5-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine
PubChem CID73386971
Molecular FormulaC23H22N8O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC NameN-[2-methoxy-5-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cc(-c2cnn(C)c2)c(C)cc1Nc1ncc2ccnc(-c3cnn(C)c3)c2n1
InChIInChI=1S/C23H22N8O/c1-14-7-19(20(32-4)8-18(14)16-10-26-30(2)12-16)28-23-25-9-15-5-6-24-21(22(15)29-23)17-11-27-31(3)13-17/h5-13H,1-4H3,(H,25,28,29)
InChIKeyPILYAHUGKPCZGY-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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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-[2-methoxy-5-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine (CID 73386971) is N-[2-methoxy-5-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-[2-methoxy-5-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-[2-methoxy-5-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine is COc1cc(-c2cnn(C)c2)c(C)cc1Nc1ncc2ccnc(-c3cnn(C)c3)c2n1.
What is the InChIKey of N-[2-methoxy-5-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is PILYAHUGKPCZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O/c1-14-7-19(20(32-4)8-18(14)16-10-26-30(2)12-16)28-23-25-9-15-5-6-24-21(22(15)29-23)17-11-27-31(3)13-17/h5-13H,1-4H3,(H,25,28,29).
What are the key properties of N-[2-methoxy-5-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine?
N-[2-methoxy-5-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-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-[2-methoxy-5-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 73386971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).