7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C35H43N7O — CID 164798961

IUPAC7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4N4CCCn5nc(C)cc5C4)C3)c12
InChIInChI=1S/C35H43N7O/c1-3-26-9-4-10-27-11-5-12-31(32(26)27)39-20-13-29-30(23-39)36-34(43-24-35-14-6-17-41(35)18-7-15-35)37-33(29)40-16-8-19-42-28(22-40)21-25(2)38-42/h4-5,9-12,21H,3,6-8,13-20,22-24H2,1-2H3
InChIKeyBPSDFLCWPUJMJP-UHFFFAOYSA-N
MW577.78 g/mol
LogP5.68
Rot. Bonds6

About 7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 164798961) has the molecular formula C35H43N7O and a molecular weight of 577.78 g/mol. Its IUPAC name is 7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID164798961
Molecular FormulaC35H43N7O
Molecular Weight577.78 g/mol
Exact Mass577.35
IUPAC Name7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4N4CCCn5nc(C)cc5C4)C3)c12
InChIInChI=1S/C35H43N7O/c1-3-26-9-4-10-27-11-5-12-31(32(26)27)39-20-13-29-30(23-39)36-34(43-24-35-14-6-17-41(35)18-7-15-35)37-33(29)40-16-8-19-42-28(22-40)21-25(2)38-42/h4-5,9-12,21H,3,6-8,13-20,22-24H2,1-2H3
InChIKeyBPSDFLCWPUJMJP-UHFFFAOYSA-N
XLogP5.68
TPSA62.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.78
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 164798961) is 7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4N4CCCn5nc(C)cc5C4)C3)c12.
What is the InChIKey of 7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is BPSDFLCWPUJMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N7O/c1-3-26-9-4-10-27-11-5-12-31(32(26)27)39-20-13-29-30(23-39)36-34(43-24-35-14-6-17-41(35)18-7-15-35)37-33(29)40-16-8-19-42-28(22-40)21-25(2)38-42/h4-5,9-12,21H,3,6-8,13-20,22-24H2,1-2H3.
What are the key properties of 7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 577.78 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 164798961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).