acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine

C30H41N7O — CID 142595723

IUPACacetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine
SMILESCC#N.CN1CCCC1.COc1nc2c(c(N3CCNCC3)n1)CCN(c1cccc3cccc(C)c13)C2
InChIInChI=1S/C23H27N5O.C5H11N.C2H3N/c1-16-5-3-6-17-7-4-8-20(21(16)17)28-12-9-18-19(15-28)25-23(29-2)26-22(18)27-13-10-24-11-14-27;1-6-4-2-3-5-6;1-2-3/h3-8,24H,9-15H2,1-2H3;2-5H2,1H3;1H3
InChIKeyCZUVSMHNOLIUDN-UHFFFAOYSA-N
MW515.71 g/mol
LogP4.16
Rot. Bonds3

About acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine

acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine (PubChem CID 142595723) has the molecular formula C30H41N7O and a molecular weight of 515.71 g/mol. Its IUPAC name is acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine.

Molecular Properties

Compound Nameacetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine
PubChem CID142595723
Molecular FormulaC30H41N7O
Molecular Weight515.71 g/mol
Exact Mass515.34
IUPAC Nameacetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine
SMILESCC#N.CN1CCCC1.COc1nc2c(c(N3CCNCC3)n1)CCN(c1cccc3cccc(C)c13)C2
InChIInChI=1S/C23H27N5O.C5H11N.C2H3N/c1-16-5-3-6-17-7-4-8-20(21(16)17)28-12-9-18-19(15-28)25-23(29-2)26-22(18)27-13-10-24-11-14-27;1-6-4-2-3-5-6;1-2-3/h3-8,24H,9-15H2,1-2H3;2-5H2,1H3;1H3
InChIKeyCZUVSMHNOLIUDN-UHFFFAOYSA-N
XLogP4.16
TPSA80.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.71
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

acetonitrile;2-methoxy-7-(3-methoxy-2-methylphenyl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine
CID 142595210
(E)-4-[4-[2-methoxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-4-oxobut-2-enenitrile
CID 146609471
2-methoxy-7-(3-methoxy-2-methylphenyl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 142595211
acetonitrile;ethane;2-methoxy-6-(2-methylphenyl)sulfanyl-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine;1-methylpyrrolidine
CID 156843354
acetonitrile;1-[4-(2-methoxy-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one;1-methylpyrrolidine
CID 142595171
4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-7-(8-ethylnaphthalen-1-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine
CID 163222867
3-[4-[2-methoxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carbonyl]cyclopent-2-en-1-one
CID 142595384
(E)-4-[4-[2-methoxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-N,N-dimethyl-4-oxobut-2-enamide
CID 142595436
8-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalene-1-carbonitrile
CID 170572787
7-(8-chloronaphthalen-1-yl)-4-(3-hydroxysulfanylpiperidin-1-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine
CID 164925325
7-(8-chloronaphthalen-1-yl)-2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 178000351
3-[7-(8-chloronaphthalen-1-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-6-(difluoromethyl)-3,8-diazabicyclo[3.2.1]octan-6-ol;1-methylpyrrolidine
CID 163223187

Frequently Asked Questions

What is the IUPAC name of acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine?
The IUPAC name of acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine (CID 142595723) is acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine.
What is the SMILES notation for acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine?
The canonical SMILES for acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine is CC#N.CN1CCCC1.COc1nc2c(c(N3CCNCC3)n1)CCN(c1cccc3cccc(C)c13)C2.
What is the InChIKey of acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine?
The InChIKey is CZUVSMHNOLIUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O.C5H11N.C2H3N/c1-16-5-3-6-17-7-4-8-20(21(16)17)28-12-9-18-19(15-28)25-23(29-2)26-22(18)27-13-10-24-11-14-27;1-6-4-2-3-5-6;1-2-3/h3-8,24H,9-15H2,1-2H3;2-5H2,1H3;1H3.
What are the key properties of acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine?
acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine has a molecular weight of 515.71 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine is sourced from PubChem (CID 142595723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).