5'-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-8H-pyrido[3,2-d]pyrimidine]-6'-one

C27H36N6O2 — CID 167122780

IUPAC5'-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-8H-pyrido[3,2-d]pyrimidine]-6'-one
SMILESCN1C(=O)C2(CCCc3ccccc32)Cc2nc(OC[C@@H]3CCCN3C)nc(N3CCNCC3)c21
InChIInChI=1S/C27H36N6O2/c1-31-14-6-9-20(31)18-35-26-29-22-17-27(11-5-8-19-7-3-4-10-21(19)27)25(34)32(2)23(22)24(30-26)33-15-12-28-13-16-33/h3-4,7,10,20,28H,5-6,8-9,11-18H2,1-2H3/t20-,27?/m0/s1
InChIKeyPQYOWGUYQYXTCE-SVQMELKDSA-N
MW476.63 g/mol
LogP2.15
Rot. Bonds4

About 5'-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-8H-pyrido[3,2-d]pyrimidine]-6'-one

5'-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-8H-pyrido[3,2-d]pyrimidine]-6'-one (PubChem CID 167122780) has the molecular formula C27H36N6O2 and a molecular weight of 476.63 g/mol. Its IUPAC name is 5'-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-8H-pyrido[3,2-d]pyrimidine]-6'-one.

Molecular Properties

Compound Name5'-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-8H-pyrido[3,2-d]pyrimidine]-6'-one
PubChem CID167122780
Molecular FormulaC27H36N6O2
Molecular Weight476.63 g/mol
Exact Mass476.29
IUPAC Name5'-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-8H-pyrido[3,2-d]pyrimidine]-6'-one
SMILESCN1C(=O)C2(CCCc3ccccc32)Cc2nc(OC[C@@H]3CCCN3C)nc(N3CCNCC3)c21
InChIInChI=1S/C27H36N6O2/c1-31-14-6-9-20(31)18-35-26-29-22-17-27(11-5-8-19-7-3-4-10-21(19)27)25(34)32(2)23(22)24(30-26)33-15-12-28-13-16-33/h3-4,7,10,20,28H,5-6,8-9,11-18H2,1-2H3/t20-,27?/m0/s1
InChIKeyPQYOWGUYQYXTCE-SVQMELKDSA-N
XLogP2.15
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5'-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-8H-pyrido[3,2-d]pyrimidine]-6'-one with MolForge

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Related Compounds

2-[(2S)-4-[2'-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-5'-methyl-6'-oxospiro[2,3-dihydro-1H-naphthalene-4,7'-8H-pyrido[3,2-d]pyrimidine]-4'-yl]piperazin-2-yl]acetonitrile
CID 167122612
4'-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[1,2-dihydroindene-3,7'-6,8-dihydro-5H-quinazoline]
CID 172775350
2'-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]
CID 163374747
(3S)-4'-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]
CID 172744560
acetonitrile;2'-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]
CID 163374746
7-(3,4-dihydro-2H-quinolin-1-yl)-4-(3-methylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,6,7,8-tetrahydroquinazoline
CID 166793754
8-(3-fluoro-2-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperazin-1-yl-5,6,7,9-tetrahydropyrimido[4,5-c]azepine
CID 166673469
2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperazin-1-yl-7-(5-propan-2-yl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 134325721
5,6-dimethyl-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1,3-dihydrobenzimidazol-2-one
CID 138611222
2-[(2S)-4-[6,8-dichloro-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6'-oxospiro[2,3-dihydro-1H-naphthalene-4,7'-5,8-dihydropyrido[3,2-d]pyrimidine]-4'-yl]piperazin-2-yl]acetonitrile
CID 167122647
7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 134340334
(3S)-3-methyl-4-[2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-4'-yl]piperazine-1-carboxylic acid
CID 174225815

Frequently Asked Questions

What is the IUPAC name of 5'-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-8H-pyrido[3,2-d]pyrimidine]-6'-one?
The IUPAC name of 5'-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-8H-pyrido[3,2-d]pyrimidine]-6'-one (CID 167122780) is 5'-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-8H-pyrido[3,2-d]pyrimidine]-6'-one.
What is the SMILES notation for 5'-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-8H-pyrido[3,2-d]pyrimidine]-6'-one?
The canonical SMILES for 5'-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-8H-pyrido[3,2-d]pyrimidine]-6'-one is CN1C(=O)C2(CCCc3ccccc32)Cc2nc(OC[C@@H]3CCCN3C)nc(N3CCNCC3)c21.
What is the InChIKey of 5'-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-8H-pyrido[3,2-d]pyrimidine]-6'-one?
The InChIKey is PQYOWGUYQYXTCE-SVQMELKDSA-N. The full InChI is InChI=1S/C27H36N6O2/c1-31-14-6-9-20(31)18-35-26-29-22-17-27(11-5-8-19-7-3-4-10-21(19)27)25(34)32(2)23(22)24(30-26)33-15-12-28-13-16-33/h3-4,7,10,20,28H,5-6,8-9,11-18H2,1-2H3/t20-,27?/m0/s1.
What are the key properties of 5'-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-8H-pyrido[3,2-d]pyrimidine]-6'-one?
5'-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-8H-pyrido[3,2-d]pyrimidine]-6'-one has a molecular weight of 476.63 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methyl-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-8H-pyrido[3,2-d]pyrimidine]-6'-one is sourced from PubChem (CID 167122780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).