1'-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

C23H28N4O — CID 163316612

IUPAC1'-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
SMILESCOc1ccc2[nH]c(CN3CCCC4(CCc5cnc(C)nc54)C3)c(C)c2c1
InChIInChI=1S/C23H28N4O/c1-15-19-11-18(28-3)5-6-20(19)26-21(15)13-27-10-4-8-23(14-27)9-7-17-12-24-16(2)25-22(17)23/h5-6,11-12,26H,4,7-10,13-14H2,1-3H3
InChIKeyYWCHCBBWWXWMFM-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.06
Rot. Bonds3

About 1'-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

1'-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] (PubChem CID 163316612) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1'-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine].

Molecular Properties

Compound Name1'-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
PubChem CID163316612
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name1'-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
SMILESCOc1ccc2[nH]c(CN3CCCC4(CCc5cnc(C)nc54)C3)c(C)c2c1
InChIInChI=1S/C23H28N4O/c1-15-19-11-18(28-3)5-6-20(19)26-21(15)13-27-10-4-8-23(14-27)9-7-17-12-24-16(2)25-22(17)23/h5-6,11-12,26H,4,7-10,13-14H2,1-3H3
InChIKeyYWCHCBBWWXWMFM-UHFFFAOYSA-N
XLogP4.06
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1'-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 164698052
1'-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 164691339
1'-[(2-fluoro-4-methoxyphenyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 164688851
1'-[(3-chlorothiophen-2-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135118798
2-methyl-1'-[[3-(trifluoromethoxy)phenyl]methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135108126
3,5-dimethyl-4-[(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-1,2-oxazole
CID 135120195
7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176501478
2-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 164698243
1'-[(5-methoxy-3-pyridinyl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 163316416
5-methoxy-3-methyl-2-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole
CID 99931901
2-ethyl-7-[(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 135106525
5-methoxy-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-3-methyl-1H-indole
CID 74241751

Frequently Asked Questions

What is the IUPAC name of 1'-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
The IUPAC name of 1'-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] (CID 163316612) is 1'-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine].
What is the SMILES notation for 1'-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
The canonical SMILES for 1'-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] is COc1ccc2[nH]c(CN3CCCC4(CCc5cnc(C)nc54)C3)c(C)c2c1.
What is the InChIKey of 1'-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
The InChIKey is YWCHCBBWWXWMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-15-19-11-18(28-3)5-6-20(19)26-21(15)13-27-10-4-8-23(14-27)9-7-17-12-24-16(2)25-22(17)23/h5-6,11-12,26H,4,7-10,13-14H2,1-3H3.
What are the key properties of 1'-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
1'-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] has a molecular weight of 376.50 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] is sourced from PubChem (CID 163316612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).