7-(8-methylnaphthalen-1-yl)-4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C29H38N6O — CID 162371030

IUPAC7-(8-methylnaphthalen-1-yl)-4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCc1cccc2cccc(N3CCc4c(nc(OC[C@@H]5CCCN5C)nc4N4CCNC[C@H]4C)C3)c12
InChIInChI=1S/C29H38N6O/c1-20-7-4-8-22-9-5-11-26(27(20)22)34-15-12-24-25(18-34)31-29(36-19-23-10-6-14-33(23)3)32-28(24)35-16-13-30-17-21(35)2/h4-5,7-9,11,21,23,30H,6,10,12-19H2,1-3H3/t21-,23+/m1/s1
InChIKeyUAZYYGRPOMNMMP-GGAORHGYSA-N
MW486.66 g/mol
LogP3.77
Rot. Bonds5

About 7-(8-methylnaphthalen-1-yl)-4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

7-(8-methylnaphthalen-1-yl)-4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 162371030) has the molecular formula C29H38N6O and a molecular weight of 486.66 g/mol. Its IUPAC name is 7-(8-methylnaphthalen-1-yl)-4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-(8-methylnaphthalen-1-yl)-4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID162371030
Molecular FormulaC29H38N6O
Molecular Weight486.66 g/mol
Exact Mass486.31
IUPAC Name7-(8-methylnaphthalen-1-yl)-4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCc1cccc2cccc(N3CCc4c(nc(OC[C@@H]5CCCN5C)nc4N4CCNC[C@H]4C)C3)c12
InChIInChI=1S/C29H38N6O/c1-20-7-4-8-22-9-5-11-26(27(20)22)34-15-12-24-25(18-34)31-29(36-19-23-10-6-14-33(23)3)32-28(24)35-16-13-30-17-21(35)2/h4-5,7-9,11,21,23,30H,6,10,12-19H2,1-3H3/t21-,23+/m1/s1
InChIKeyUAZYYGRPOMNMMP-GGAORHGYSA-N
XLogP3.77
TPSA56.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(8-methylnaphthalen-1-yl)-4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-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-methylnaphthalen-1-yl)-4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-(8-methylnaphthalen-1-yl)-4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 162371030) is 7-(8-methylnaphthalen-1-yl)-4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-(8-methylnaphthalen-1-yl)-4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-(8-methylnaphthalen-1-yl)-4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is Cc1cccc2cccc(N3CCc4c(nc(OC[C@@H]5CCCN5C)nc4N4CCNC[C@H]4C)C3)c12.
What is the InChIKey of 7-(8-methylnaphthalen-1-yl)-4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is UAZYYGRPOMNMMP-GGAORHGYSA-N. The full InChI is InChI=1S/C29H38N6O/c1-20-7-4-8-22-9-5-11-26(27(20)22)34-15-12-24-25(18-34)31-29(36-19-23-10-6-14-33(23)3)32-28(24)35-16-13-30-17-21(35)2/h4-5,7-9,11,21,23,30H,6,10,12-19H2,1-3H3/t21-,23+/m1/s1.
What are the key properties of 7-(8-methylnaphthalen-1-yl)-4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-(8-methylnaphthalen-1-yl)-4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 486.66 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-methylnaphthalen-1-yl)-4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 162371030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).