2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

C20H24N6O — CID 126925030

IUPAC2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCc1cc2ncnc(N3CCCC3Cn3nc4c(cc3=O)CCCC4)c2[nH]1
InChIInChI=1S/C20H24N6O/c1-13-9-17-19(23-13)20(22-12-21-17)25-8-4-6-15(25)11-26-18(27)10-14-5-2-3-7-16(14)24-26/h9-10,12,15,23H,2-8,11H2,1H3
InChIKeyFGTPWELVDSNMQZ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.37
Rot. Bonds3

About 2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126925030) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126925030
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCc1cc2ncnc(N3CCCC3Cn3nc4c(cc3=O)CCCC4)c2[nH]1
InChIInChI=1S/C20H24N6O/c1-13-9-17-19(23-13)20(22-12-21-17)25-8-4-6-15(25)11-26-18(27)10-14-5-2-3-7-16(14)24-26/h9-10,12,15,23H,2-8,11H2,1H3
InChIKeyFGTPWELVDSNMQZ-UHFFFAOYSA-N
XLogP2.37
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

2-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924991
2-[[1-(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126925028
2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924605
2-[2-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126925000
2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924811
2-[2-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126924997
2-[[1-(1,2,5-thiadiazol-3-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924803
2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924752
2-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924819
2-[(1-quinolin-4-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924815
2-[[1-(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925595
2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924339

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126925030) is 2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is Cc1cc2ncnc(N3CCCC3Cn3nc4c(cc3=O)CCCC4)c2[nH]1.
What is the InChIKey of 2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is FGTPWELVDSNMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13-9-17-19(23-13)20(22-12-21-17)25-8-4-6-15(25)11-26-18(27)10-14-5-2-3-7-16(14)24-26/h9-10,12,15,23H,2-8,11H2,1H3.
What are the key properties of 2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 364.45 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126925030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).