N-[4-(4-methoxypiperidin-1-yl)phenyl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine

C27H33N7O2 — CID 170324608

IUPACN-[4-(4-methoxypiperidin-1-yl)phenyl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
SMILESCOC1CCN(c2ccc(Nc3ncc4c(n3)CN(c3cnc5c(c3C)NCCO5)CC4)cc2)CC1
InChIInChI=1S/C27H33N7O2/c1-18-24(16-29-26-25(18)28-10-14-36-26)34-11-7-19-15-30-27(32-23(19)17-34)31-20-3-5-21(6-4-20)33-12-8-22(35-2)9-13-33/h3-6,15-16,22,28H,7-14,17H2,1-2H3,(H,30,31,32)
InChIKeyYMEFODZSORZQKP-UHFFFAOYSA-N
MW487.61 g/mol
LogP3.91
Rot. Bonds5

About N-[4-(4-methoxypiperidin-1-yl)phenyl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine

N-[4-(4-methoxypiperidin-1-yl)phenyl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 170324608) has the molecular formula C27H33N7O2 and a molecular weight of 487.61 g/mol. Its IUPAC name is N-[4-(4-methoxypiperidin-1-yl)phenyl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(4-methoxypiperidin-1-yl)phenyl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
PubChem CID170324608
Molecular FormulaC27H33N7O2
Molecular Weight487.61 g/mol
Exact Mass487.27
IUPAC NameN-[4-(4-methoxypiperidin-1-yl)phenyl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
SMILESCOC1CCN(c2ccc(Nc3ncc4c(n3)CN(c3cnc5c(c3C)NCCO5)CC4)cc2)CC1
InChIInChI=1S/C27H33N7O2/c1-18-24(16-29-26-25(18)28-10-14-36-26)34-11-7-19-15-30-27(32-23(19)17-34)31-20-3-5-21(6-4-20)33-12-8-22(35-2)9-13-33/h3-6,15-16,22,28H,7-14,17H2,1-2H3,(H,30,31,32)
InChIKeyYMEFODZSORZQKP-UHFFFAOYSA-N
XLogP3.91
TPSA87.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxypiperidin-1-yl)phenyl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-[4-(4-methoxypiperidin-1-yl)phenyl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine (CID 170324608) is N-[4-(4-methoxypiperidin-1-yl)phenyl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-[4-(4-methoxypiperidin-1-yl)phenyl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-[4-(4-methoxypiperidin-1-yl)phenyl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine is COC1CCN(c2ccc(Nc3ncc4c(n3)CN(c3cnc5c(c3C)NCCO5)CC4)cc2)CC1.
What is the InChIKey of N-[4-(4-methoxypiperidin-1-yl)phenyl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is YMEFODZSORZQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O2/c1-18-24(16-29-26-25(18)28-10-14-36-26)34-11-7-19-15-30-27(32-23(19)17-34)31-20-3-5-21(6-4-20)33-12-8-22(35-2)9-13-33/h3-6,15-16,22,28H,7-14,17H2,1-2H3,(H,30,31,32).
What are the key properties of N-[4-(4-methoxypiperidin-1-yl)phenyl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
N-[4-(4-methoxypiperidin-1-yl)phenyl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 487.61 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxypiperidin-1-yl)phenyl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 170324608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).