7-benzyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine

C26H28N6O3 — CID 137362656

IUPAC7-benzyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cc(-n2cnc(Nc3ncc4c(n3)CN(Cc3ccccc3)CC4)c2)cc(OC)c1OC
InChIInChI=1S/C26H28N6O3/c1-33-22-11-20(12-23(34-2)25(22)35-3)32-16-24(28-17-32)30-26-27-13-19-9-10-31(15-21(19)29-26)14-18-7-5-4-6-8-18/h4-8,11-13,16-17H,9-10,14-15H2,1-3H3,(H,27,29,30)
InChIKeyLDDYISRSQWIRDS-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.99
Rot. Bonds8

About 7-benzyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine

7-benzyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 137362656) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 7-benzyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-benzyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
PubChem CID137362656
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC Name7-benzyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cc(-n2cnc(Nc3ncc4c(n3)CN(Cc3ccccc3)CC4)c2)cc(OC)c1OC
InChIInChI=1S/C26H28N6O3/c1-33-22-11-20(12-23(34-2)25(22)35-3)32-16-24(28-17-32)30-26-27-13-19-9-10-31(15-21(19)29-26)14-18-7-5-4-6-8-18/h4-8,11-13,16-17H,9-10,14-15H2,1-3H3,(H,27,29,30)
InChIKeyLDDYISRSQWIRDS-UHFFFAOYSA-N
XLogP3.99
TPSA86.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 7-benzyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine (CID 137362656) is 7-benzyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 7-benzyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 7-benzyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine is COc1cc(-n2cnc(Nc3ncc4c(n3)CN(Cc3ccccc3)CC4)c2)cc(OC)c1OC.
What is the InChIKey of 7-benzyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is LDDYISRSQWIRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-33-22-11-20(12-23(34-2)25(22)35-3)32-16-24(28-17-32)30-26-27-13-19-9-10-31(15-21(19)29-26)14-18-7-5-4-6-8-18/h4-8,11-13,16-17H,9-10,14-15H2,1-3H3,(H,27,29,30).
What are the key properties of 7-benzyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
7-benzyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 472.55 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 137362656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).