[3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone

C25H28N6O3 — CID 155547741

IUPAC[3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ncc(N2CCc3ncnc(Nc4cccc(C(=O)N5CCOCC5)c4)c3C2)cc1C
InChIInChI=1S/C25H28N6O3/c1-17-12-20(14-26-24(17)33-2)31-7-6-22-21(15-31)23(28-16-27-22)29-19-5-3-4-18(13-19)25(32)30-8-10-34-11-9-30/h3-5,12-14,16H,6-11,15H2,1-2H3,(H,27,28,29)
InChIKeyBSZVBDVYAHMVIF-UHFFFAOYSA-N
MW460.54 g/mol
LogP2.97
Rot. Bonds5

About [3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone

[3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 155547741) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is [3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone
PubChem CID155547741
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC Name[3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ncc(N2CCc3ncnc(Nc4cccc(C(=O)N5CCOCC5)c4)c3C2)cc1C
InChIInChI=1S/C25H28N6O3/c1-17-12-20(14-26-24(17)33-2)31-7-6-22-21(15-31)23(28-16-27-22)29-19-5-3-4-18(13-19)25(32)30-8-10-34-11-9-30/h3-5,12-14,16H,6-11,15H2,1-2H3,(H,27,28,29)
InChIKeyBSZVBDVYAHMVIF-UHFFFAOYSA-N
XLogP2.97
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone (CID 155547741) is [3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone is COc1ncc(N2CCc3ncnc(Nc4cccc(C(=O)N5CCOCC5)c4)c3C2)cc1C.
What is the InChIKey of [3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is BSZVBDVYAHMVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-17-12-20(14-26-24(17)33-2)31-7-6-22-21(15-31)23(28-16-27-22)29-19-5-3-4-18(13-19)25(32)30-8-10-34-11-9-30/h3-5,12-14,16H,6-11,15H2,1-2H3,(H,27,28,29).
What are the key properties of [3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone?
[3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 460.54 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 155547741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).