8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]pyrido[3,2-d]pyrimidine

C21H19N5O3 — CID 175969011

IUPAC8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]pyrido[3,2-d]pyrimidine
SMILESCOc1ccc(COc2ncc(Cc3ccnc4cncnc34)cc2OC)nc1
InChIInChI=1S/C21H19N5O3/c1-27-17-4-3-16(24-10-17)12-29-21-19(28-2)8-14(9-25-21)7-15-5-6-23-18-11-22-13-26-20(15)18/h3-6,8-11,13H,7,12H2,1-2H3
InChIKeyBQPYSFSQYRWTHX-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.00
Rot. Bonds7

About 8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]pyrido[3,2-d]pyrimidine

8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]pyrido[3,2-d]pyrimidine (PubChem CID 175969011) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]pyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]pyrido[3,2-d]pyrimidine
PubChem CID175969011
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]pyrido[3,2-d]pyrimidine
SMILESCOc1ccc(COc2ncc(Cc3ccnc4cncnc34)cc2OC)nc1
InChIInChI=1S/C21H19N5O3/c1-27-17-4-3-16(24-10-17)12-29-21-19(28-2)8-14(9-25-21)7-15-5-6-23-18-11-22-13-26-20(15)18/h3-6,8-11,13H,7,12H2,1-2H3
InChIKeyBQPYSFSQYRWTHX-UHFFFAOYSA-N
XLogP3.00
TPSA92.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]pyrido[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]pyrido[3,2-d]pyrimidine?
The IUPAC name of 8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]pyrido[3,2-d]pyrimidine (CID 175969011) is 8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]pyrido[3,2-d]pyrimidine.
What is the SMILES notation for 8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]pyrido[3,2-d]pyrimidine?
The canonical SMILES for 8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]pyrido[3,2-d]pyrimidine is COc1ccc(COc2ncc(Cc3ccnc4cncnc34)cc2OC)nc1.
What is the InChIKey of 8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]pyrido[3,2-d]pyrimidine?
The InChIKey is BQPYSFSQYRWTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-27-17-4-3-16(24-10-17)12-29-21-19(28-2)8-14(9-25-21)7-15-5-6-23-18-11-22-13-26-20(15)18/h3-6,8-11,13H,7,12H2,1-2H3.
What are the key properties of 8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]pyrido[3,2-d]pyrimidine?
8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]pyrido[3,2-d]pyrimidine has a molecular weight of 389.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]pyrido[3,2-d]pyrimidine is sourced from PubChem (CID 175969011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).