7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C31H36ClN7O — CID 167225364

IUPAC7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCN1CCC[C@H]1COc1nc2c(c(N3Cc4cncn4C[C@H]3C)n1)CCN(c1cccc3cccc(Cl)c13)C2
InChIInChI=1S/C31H36ClN7O/c1-3-36-13-6-9-23(36)19-40-31-34-27-18-37(28-11-5-8-22-7-4-10-26(32)29(22)28)14-12-25(27)30(35-31)39-17-24-15-33-20-38(24)16-21(39)2/h4-5,7-8,10-11,15,20-21,23H,3,6,9,12-14,16-19H2,1-2H3/t21-,23+/m1/s1
InChIKeyCIVCOCIFVDJCJF-GGAORHGYSA-N
MW558.13 g/mol
LogP5.31
Rot. Bonds6

About 7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 167225364) has the molecular formula C31H36ClN7O and a molecular weight of 558.13 g/mol. Its IUPAC name is 7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID167225364
Molecular FormulaC31H36ClN7O
Molecular Weight558.13 g/mol
Exact Mass557.27
IUPAC Name7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCN1CCC[C@H]1COc1nc2c(c(N3Cc4cncn4C[C@H]3C)n1)CCN(c1cccc3cccc(Cl)c13)C2
InChIInChI=1S/C31H36ClN7O/c1-3-36-13-6-9-23(36)19-40-31-34-27-18-37(28-11-5-8-22-7-4-10-26(32)29(22)28)14-12-25(27)30(35-31)39-17-24-15-33-20-38(24)16-21(39)2/h4-5,7-8,10-11,15,20-21,23H,3,6,9,12-14,16-19H2,1-2H3/t21-,23+/m1/s1
InChIKeyCIVCOCIFVDJCJF-GGAORHGYSA-N
XLogP5.31
TPSA62.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.13
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine with MolForge

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Related Compounds

7-(8-chloronaphthalen-1-yl)-2-[(1-methylazetidin-2-yl)methoxy]-4-(6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 167225591
7-(8-chloronaphthalen-1-yl)-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 167225521
5-chloro-4-[2-methoxy-4-(6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 167225576
7-(8-chloronaphthalen-1-yl)-4-(4-ethylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 178000319
7-(8-chloronaphthalen-1-yl)-4-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 169013093
7-(8-chloronaphthalen-1-yl)-4-(1-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 167225980
7-(8-chloronaphthalen-1-yl)-4-methoxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 154718344
7-(8-chloronaphthalen-1-yl)-4-[(1R,5S,6S)-6-(methoxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 163222881
1-[(1R,5S)-3-[7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,6-diazabicyclo[3.2.0]heptan-6-yl]prop-2-en-1-one
CID 176597113
5-chloro-4-[4-[(3S)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 169013144
5-chloro-4-[4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 169013116
4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-7-(7,8-dichloronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 167165323

Frequently Asked Questions

What is the IUPAC name of 7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 167225364) is 7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CCN1CCC[C@H]1COc1nc2c(c(N3Cc4cncn4C[C@H]3C)n1)CCN(c1cccc3cccc(Cl)c13)C2.
What is the InChIKey of 7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is CIVCOCIFVDJCJF-GGAORHGYSA-N. The full InChI is InChI=1S/C31H36ClN7O/c1-3-36-13-6-9-23(36)19-40-31-34-27-18-37(28-11-5-8-22-7-4-10-26(32)29(22)28)14-12-25(27)30(35-31)39-17-24-15-33-20-38(24)16-21(39)2/h4-5,7-8,10-11,15,20-21,23H,3,6,9,12-14,16-19H2,1-2H3/t21-,23+/m1/s1.
What are the key properties of 7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 558.13 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 167225364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).