7-[1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperazin-1-yl]ethyl]-5,10-dihydrocycloocta[b]pyrazine

C24H31N7 — CID 174092442

IUPAC7-[1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperazin-1-yl]ethyl]-5,10-dihydrocycloocta[b]pyrazine
SMILESCC(C1=CCc2nccnc2CC=C1)N1CCN(c2ncc3c(n2)CCN(C)C3)CC1
InChIInChI=1S/C24H31N7/c1-18(19-4-3-5-22-23(7-6-19)26-10-9-25-22)30-12-14-31(15-13-30)24-27-16-20-17-29(2)11-8-21(20)28-24/h3-4,6,9-10,16,18H,5,7-8,11-15,17H2,1-2H3
InChIKeyZBJHHZKWYCYTIX-UHFFFAOYSA-N
MW417.56 g/mol
LogP2.05
Rot. Bonds3

About 7-[1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperazin-1-yl]ethyl]-5,10-dihydrocycloocta[b]pyrazine

7-[1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperazin-1-yl]ethyl]-5,10-dihydrocycloocta[b]pyrazine (PubChem CID 174092442) has the molecular formula C24H31N7 and a molecular weight of 417.56 g/mol. Its IUPAC name is 7-[1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperazin-1-yl]ethyl]-5,10-dihydrocycloocta[b]pyrazine.

Molecular Properties

Compound Name7-[1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperazin-1-yl]ethyl]-5,10-dihydrocycloocta[b]pyrazine
PubChem CID174092442
Molecular FormulaC24H31N7
Molecular Weight417.56 g/mol
Exact Mass417.26
IUPAC Name7-[1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperazin-1-yl]ethyl]-5,10-dihydrocycloocta[b]pyrazine
SMILESCC(C1=CCc2nccnc2CC=C1)N1CCN(c2ncc3c(n2)CCN(C)C3)CC1
InChIInChI=1S/C24H31N7/c1-18(19-4-3-5-22-23(7-6-19)26-10-9-25-22)30-12-14-31(15-13-30)24-27-16-20-17-29(2)11-8-21(20)28-24/h3-4,6,9-10,16,18H,5,7-8,11-15,17H2,1-2H3
InChIKeyZBJHHZKWYCYTIX-UHFFFAOYSA-N
XLogP2.05
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperazin-1-yl]ethyl]-5,10-dihydrocycloocta[b]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperazin-1-yl]ethyl]-5,10-dihydrocycloocta[b]pyrazine?
The IUPAC name of 7-[1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperazin-1-yl]ethyl]-5,10-dihydrocycloocta[b]pyrazine (CID 174092442) is 7-[1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperazin-1-yl]ethyl]-5,10-dihydrocycloocta[b]pyrazine.
What is the SMILES notation for 7-[1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperazin-1-yl]ethyl]-5,10-dihydrocycloocta[b]pyrazine?
The canonical SMILES for 7-[1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperazin-1-yl]ethyl]-5,10-dihydrocycloocta[b]pyrazine is CC(C1=CCc2nccnc2CC=C1)N1CCN(c2ncc3c(n2)CCN(C)C3)CC1.
What is the InChIKey of 7-[1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperazin-1-yl]ethyl]-5,10-dihydrocycloocta[b]pyrazine?
The InChIKey is ZBJHHZKWYCYTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7/c1-18(19-4-3-5-22-23(7-6-19)26-10-9-25-22)30-12-14-31(15-13-30)24-27-16-20-17-29(2)11-8-21(20)28-24/h3-4,6,9-10,16,18H,5,7-8,11-15,17H2,1-2H3.
What are the key properties of 7-[1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperazin-1-yl]ethyl]-5,10-dihydrocycloocta[b]pyrazine?
7-[1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperazin-1-yl]ethyl]-5,10-dihydrocycloocta[b]pyrazine has a molecular weight of 417.56 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperazin-1-yl]ethyl]-5,10-dihydrocycloocta[b]pyrazine is sourced from PubChem (CID 174092442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).