6-(5-phenylmethoxy-3-pyridinyl)-4-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1,2-dihydropyrido[3,4-d]pyrimidine

C31H23N7O — CID 145033035

IUPAC6-(5-phenylmethoxy-3-pyridinyl)-4-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1,2-dihydropyrido[3,4-d]pyrimidine
SMILESc1ccc(COc2cncc(-c3cc4c(cn3)NCN=C4c3nc4c(-c5ccncc5)cccc4[nH]3)c2)cc1
InChIInChI=1S/C31H23N7O/c1-2-5-20(6-3-1)18-39-23-13-22(15-33-16-23)27-14-25-28(17-34-27)35-19-36-30(25)31-37-26-8-4-7-24(29(26)38-31)21-9-11-32-12-10-21/h1-17,35H,18-19H2,(H,37,38)
InChIKeyZQPXNJYSWPRIBY-UHFFFAOYSA-N
MW509.57 g/mol
LogP5.88
Rot. Bonds6

About 6-(5-phenylmethoxy-3-pyridinyl)-4-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1,2-dihydropyrido[3,4-d]pyrimidine

6-(5-phenylmethoxy-3-pyridinyl)-4-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1,2-dihydropyrido[3,4-d]pyrimidine (PubChem CID 145033035) has the molecular formula C31H23N7O and a molecular weight of 509.57 g/mol. Its IUPAC name is 6-(5-phenylmethoxy-3-pyridinyl)-4-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1,2-dihydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(5-phenylmethoxy-3-pyridinyl)-4-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1,2-dihydropyrido[3,4-d]pyrimidine
PubChem CID145033035
Molecular FormulaC31H23N7O
Molecular Weight509.57 g/mol
Exact Mass509.20
IUPAC Name6-(5-phenylmethoxy-3-pyridinyl)-4-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1,2-dihydropyrido[3,4-d]pyrimidine
SMILESc1ccc(COc2cncc(-c3cc4c(cn3)NCN=C4c3nc4c(-c5ccncc5)cccc4[nH]3)c2)cc1
InChIInChI=1S/C31H23N7O/c1-2-5-20(6-3-1)18-39-23-13-22(15-33-16-23)27-14-25-28(17-34-27)35-19-36-30(25)31-37-26-8-4-7-24(29(26)38-31)21-9-11-32-12-10-21/h1-17,35H,18-19H2,(H,37,38)
InChIKeyZQPXNJYSWPRIBY-UHFFFAOYSA-N
XLogP5.88
TPSA100.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.57
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 136938226
2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine
CID 136947237
2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine
CID 136947326
5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137280863
3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137057364
3-(1H-indol-2-yl)-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137103293
5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137280524
3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137056908
3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 136937373
3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137088447
5-(5-phenylmethoxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137115143
2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
CID 136936838

Frequently Asked Questions

What is the IUPAC name of 6-(5-phenylmethoxy-3-pyridinyl)-4-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1,2-dihydropyrido[3,4-d]pyrimidine?
The IUPAC name of 6-(5-phenylmethoxy-3-pyridinyl)-4-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1,2-dihydropyrido[3,4-d]pyrimidine (CID 145033035) is 6-(5-phenylmethoxy-3-pyridinyl)-4-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1,2-dihydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 6-(5-phenylmethoxy-3-pyridinyl)-4-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1,2-dihydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 6-(5-phenylmethoxy-3-pyridinyl)-4-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1,2-dihydropyrido[3,4-d]pyrimidine is c1ccc(COc2cncc(-c3cc4c(cn3)NCN=C4c3nc4c(-c5ccncc5)cccc4[nH]3)c2)cc1.
What is the InChIKey of 6-(5-phenylmethoxy-3-pyridinyl)-4-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1,2-dihydropyrido[3,4-d]pyrimidine?
The InChIKey is ZQPXNJYSWPRIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N7O/c1-2-5-20(6-3-1)18-39-23-13-22(15-33-16-23)27-14-25-28(17-34-27)35-19-36-30(25)31-37-26-8-4-7-24(29(26)38-31)21-9-11-32-12-10-21/h1-17,35H,18-19H2,(H,37,38).
What are the key properties of 6-(5-phenylmethoxy-3-pyridinyl)-4-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1,2-dihydropyrido[3,4-d]pyrimidine?
6-(5-phenylmethoxy-3-pyridinyl)-4-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1,2-dihydropyrido[3,4-d]pyrimidine has a molecular weight of 509.57 g/mol, XLogP of 5.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-phenylmethoxy-3-pyridinyl)-4-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1,2-dihydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 145033035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).