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

C24H20N6O — CID 73386874

IUPACN-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-phenylpyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(-c3ccccc3)c2n1
InChIInChI=1S/C24H20N6O/c1-30-15-19(14-27-30)17-8-9-20(21(12-17)31-2)28-24-26-13-18-10-11-25-22(23(18)29-24)16-6-4-3-5-7-16/h3-15H,1-2H3,(H,26,28,29)
InChIKeyVHUFJBBNAXAKDJ-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.84
Rot. Bonds5

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

N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-phenylpyrido[3,4-d]pyrimidin-2-amine (PubChem CID 73386874) has the molecular formula C24H20N6O and a molecular weight of 408.47 g/mol. Its IUPAC name is N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-phenylpyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-phenylpyrido[3,4-d]pyrimidin-2-amine
PubChem CID73386874
Molecular FormulaC24H20N6O
Molecular Weight408.47 g/mol
Exact Mass408.17
IUPAC NameN-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-phenylpyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(-c3ccccc3)c2n1
InChIInChI=1S/C24H20N6O/c1-30-15-19(14-27-30)17-8-9-20(21(12-17)31-2)28-24-26-13-18-10-11-25-22(23(18)29-24)16-6-4-3-5-7-16/h3-15H,1-2H3,(H,26,28,29)
InChIKeyVHUFJBBNAXAKDJ-UHFFFAOYSA-N
XLogP4.84
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-phenylpyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-phenylpyrido[3,4-d]pyrimidin-2-amine (CID 73386874) is N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-phenylpyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-phenylpyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-phenylpyrido[3,4-d]pyrimidin-2-amine is COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(-c3ccccc3)c2n1.
What is the InChIKey of N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-phenylpyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is VHUFJBBNAXAKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O/c1-30-15-19(14-27-30)17-8-9-20(21(12-17)31-2)28-24-26-13-18-10-11-25-22(23(18)29-24)16-6-4-3-5-7-16/h3-15H,1-2H3,(H,26,28,29).
What are the key properties of N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-phenylpyrido[3,4-d]pyrimidin-2-amine?
N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-phenylpyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 408.47 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-phenylpyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 73386874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).