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

C22H20N8 — CID 73386976

IUPACN-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine
SMILESCc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(-c3cnn(C)c3)c2n1
InChIInChI=1S/C22H20N8/c1-14-8-15(17-10-25-29(2)12-17)4-5-19(14)27-22-24-9-16-6-7-23-20(21(16)28-22)18-11-26-30(3)13-18/h4-13H,1-3H3,(H,24,27,28)
InChIKeyZSURBDONNIPHHP-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.88
Rot. Bonds4

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

N-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 73386976) has the molecular formula C22H20N8 and a molecular weight of 396.46 g/mol. Its IUPAC name is N-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine
PubChem CID73386976
Molecular FormulaC22H20N8
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC NameN-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine
SMILESCc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(-c3cnn(C)c3)c2n1
InChIInChI=1S/C22H20N8/c1-14-8-15(17-10-25-29(2)12-17)4-5-19(14)27-22-24-9-16-6-7-23-20(21(16)28-22)18-11-26-30(3)13-18/h4-13H,1-3H3,(H,24,27,28)
InChIKeyZSURBDONNIPHHP-UHFFFAOYSA-N
XLogP3.88
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-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-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine (CID 73386976) is N-[2-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-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-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine is Cc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(-c3cnn(C)c3)c2n1.
What is the InChIKey of N-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is ZSURBDONNIPHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8/c1-14-8-15(17-10-25-29(2)12-17)4-5-19(14)27-22-24-9-16-6-7-23-20(21(16)28-22)18-11-26-30(3)13-18/h4-13H,1-3H3,(H,24,27,28).
What are the key properties of N-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine?
N-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 396.46 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 73386976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).