ethyl 2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyridine-4-carboxylate

C24H24N6O4 — CID 66959530

IUPACethyl 2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Nc2nc(-c3ccc(C(C)(C)O)nc3)cc3ncn(C)c(=O)c23)c1
InChIInChI=1S/C24H24N6O4/c1-5-34-23(32)14-8-9-25-19(10-14)29-21-20-17(27-13-30(4)22(20)31)11-16(28-21)15-6-7-18(26-12-15)24(2,3)33/h6-13,33H,5H2,1-4H3,(H,25,28,29)
InChIKeyAHWRHFDJKGRTAS-UHFFFAOYSA-N
MW460.49 g/mol
LogP2.93
Rot. Bonds6

About ethyl 2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyridine-4-carboxylate

ethyl 2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyridine-4-carboxylate (PubChem CID 66959530) has the molecular formula C24H24N6O4 and a molecular weight of 460.49 g/mol. Its IUPAC name is ethyl 2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyridine-4-carboxylate
PubChem CID66959530
Molecular FormulaC24H24N6O4
Molecular Weight460.49 g/mol
Exact Mass460.19
IUPAC Nameethyl 2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Nc2nc(-c3ccc(C(C)(C)O)nc3)cc3ncn(C)c(=O)c23)c1
InChIInChI=1S/C24H24N6O4/c1-5-34-23(32)14-8-9-25-19(10-14)29-21-20-17(27-13-30(4)22(20)31)11-16(28-21)15-6-7-18(26-12-15)24(2,3)33/h6-13,33H,5H2,1-4H3,(H,25,28,29)
InChIKeyAHWRHFDJKGRTAS-UHFFFAOYSA-N
XLogP2.93
TPSA132.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze ethyl 2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyridine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyridine-4-carboxylate (CID 66959530) is ethyl 2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyridine-4-carboxylate is CCOC(=O)c1ccnc(Nc2nc(-c3ccc(C(C)(C)O)nc3)cc3ncn(C)c(=O)c23)c1.
What is the InChIKey of ethyl 2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyridine-4-carboxylate?
The InChIKey is AHWRHFDJKGRTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4/c1-5-34-23(32)14-8-9-25-19(10-14)29-21-20-17(27-13-30(4)22(20)31)11-16(28-21)15-6-7-18(26-12-15)24(2,3)33/h6-13,33H,5H2,1-4H3,(H,25,28,29).
What are the key properties of ethyl 2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyridine-4-carboxylate?
ethyl 2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyridine-4-carboxylate has a molecular weight of 460.49 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 66959530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).