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

C23H25N7O2 — CID 90000620

IUPACN-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(2-methylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N3CCOC(C)C3)c2n1
InChIInChI=1S/C23H25N7O2/c1-15-13-30(8-9-32-15)22-21-17(6-7-24-22)11-25-23(28-21)27-19-5-4-16(10-20(19)31-3)18-12-26-29(2)14-18/h4-7,10-12,14-15H,8-9,13H2,1-3H3,(H,25,27,28)
InChIKeyQDRPODVXFWNFJS-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.40
Rot. Bonds5

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

N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(2-methylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 90000620) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(2-methylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(2-methylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
PubChem CID90000620
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC NameN-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(2-methylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N3CCOC(C)C3)c2n1
InChIInChI=1S/C23H25N7O2/c1-15-13-30(8-9-32-15)22-21-17(6-7-24-22)11-25-23(28-21)27-19-5-4-16(10-20(19)31-3)18-12-26-29(2)14-18/h4-7,10-12,14-15H,8-9,13H2,1-3H3,(H,25,27,28)
InChIKeyQDRPODVXFWNFJS-UHFFFAOYSA-N
XLogP3.40
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(2-methylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(2-methylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-2-amine (CID 90000620) is N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(2-methylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(2-methylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(2-methylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-2-amine is COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N3CCOC(C)C3)c2n1.
What is the InChIKey of N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(2-methylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is QDRPODVXFWNFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-15-13-30(8-9-32-15)22-21-17(6-7-24-22)11-25-23(28-21)27-19-5-4-16(10-20(19)31-3)18-12-26-29(2)14-18/h4-7,10-12,14-15H,8-9,13H2,1-3H3,(H,25,27,28).
What are the key properties of N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(2-methylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-2-amine?
N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(2-methylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 431.50 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(2-methylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 90000620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).