1'-[(5-methoxy-3-pyridinyl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

C24H26N4O — CID 163316416

IUPAC1'-[(5-methoxy-3-pyridinyl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
SMILESCOc1cncc(CN2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)c1
InChIInChI=1S/C24H26N4O/c1-29-21-12-18(13-25-15-21)16-28-11-5-9-24(17-28)10-8-20-14-26-23(27-22(20)24)19-6-3-2-4-7-19/h2-4,6-7,12-15H,5,8-11,16-17H2,1H3
InChIKeyMXUOWOCWYJRGPP-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.03
Rot. Bonds4

About 1'-[(5-methoxy-3-pyridinyl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

1'-[(5-methoxy-3-pyridinyl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] (PubChem CID 163316416) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 1'-[(5-methoxy-3-pyridinyl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine].

Molecular Properties

Compound Name1'-[(5-methoxy-3-pyridinyl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
PubChem CID163316416
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name1'-[(5-methoxy-3-pyridinyl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
SMILESCOc1cncc(CN2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)c1
InChIInChI=1S/C24H26N4O/c1-29-21-12-18(13-25-15-21)16-28-11-5-9-24(17-28)10-8-20-14-26-23(27-22(20)24)19-6-3-2-4-7-19/h2-4,6-7,12-15H,5,8-11,16-17H2,1H3
InChIKeyMXUOWOCWYJRGPP-UHFFFAOYSA-N
XLogP4.03
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-[(5-methoxy-3-pyridinyl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] with MolForge

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Related Compounds

1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135095074
5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-N-propan-2-ylpyrimidin-2-amine
CID 135120145
1'-[(5-methylfuran-2-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135089616
1'-[(3-methoxyphenyl)methyl]-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 131655121
1'-(2-methylsulfonylethyl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135114610
1'-(2-imidazol-1-ylethyl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135096180
1'-(5-ethylpyrimidin-2-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135104197
2-methyl-1'-[[3-(trifluoromethoxy)phenyl]methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135108126
1'-[(2-fluoro-4-methoxyphenyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 164688851
6-[(5-methoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917067
(1-methylcyclopropyl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135098601
5-[[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methyl]-2-methoxybenzoic acid
CID 163310429

Frequently Asked Questions

What is the IUPAC name of 1'-[(5-methoxy-3-pyridinyl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
The IUPAC name of 1'-[(5-methoxy-3-pyridinyl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] (CID 163316416) is 1'-[(5-methoxy-3-pyridinyl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine].
What is the SMILES notation for 1'-[(5-methoxy-3-pyridinyl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
The canonical SMILES for 1'-[(5-methoxy-3-pyridinyl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] is COc1cncc(CN2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)c1.
What is the InChIKey of 1'-[(5-methoxy-3-pyridinyl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
The InChIKey is MXUOWOCWYJRGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-29-21-12-18(13-25-15-21)16-28-11-5-9-24(17-28)10-8-20-14-26-23(27-22(20)24)19-6-3-2-4-7-19/h2-4,6-7,12-15H,5,8-11,16-17H2,1H3.
What are the key properties of 1'-[(5-methoxy-3-pyridinyl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
1'-[(5-methoxy-3-pyridinyl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] has a molecular weight of 386.50 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(5-methoxy-3-pyridinyl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] is sourced from PubChem (CID 163316416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).