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

C22H23N7O2 — CID 90000760

IUPACN-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N3CCOCC3)c2n1
InChIInChI=1S/C22H23N7O2/c1-28-14-17(13-25-28)15-3-4-18(19(11-15)30-2)26-22-24-12-16-5-6-23-21(20(16)27-22)29-7-9-31-10-8-29/h3-6,11-14H,7-10H2,1-2H3,(H,24,26,27)
InChIKeyBRGOTJAOMHERPF-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.01
Rot. Bonds5

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

N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine (PubChem CID 90000760) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine
PubChem CID90000760
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC NameN-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N3CCOCC3)c2n1
InChIInChI=1S/C22H23N7O2/c1-28-14-17(13-25-28)15-3-4-18(19(11-15)30-2)26-22-24-12-16-5-6-23-21(20(16)27-22)29-7-9-31-10-8-29/h3-6,11-14H,7-10H2,1-2H3,(H,24,26,27)
InChIKeyBRGOTJAOMHERPF-UHFFFAOYSA-N
XLogP3.01
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.01
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-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine (CID 90000760) is N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine is COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N3CCOCC3)c2n1.
What is the InChIKey of N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is BRGOTJAOMHERPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-28-14-17(13-25-28)15-3-4-18(19(11-15)30-2)26-22-24-12-16-5-6-23-21(20(16)27-22)29-7-9-31-10-8-29/h3-6,11-14H,7-10H2,1-2H3,(H,24,26,27).
What are the key properties of N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine?
N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 417.47 g/mol, XLogP of 3.01, 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-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 90000760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).