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

C19H23N7O — CID 126925028

IUPAC2-[[1-(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCn1cc2c(N3CCCC3Cn3nc4c(cc3=O)CCCC4)ncnc2n1
InChIInChI=1S/C19H23N7O/c1-24-11-15-18(23-24)20-12-21-19(15)25-8-4-6-14(25)10-26-17(27)9-13-5-2-3-7-16(13)22-26/h9,11-12,14H,2-8,10H2,1H3
InChIKeyKFPSLNGNIICXOK-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.47
Rot. Bonds3

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

2-[[1-(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126925028) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[[1-(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126925028
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name2-[[1-(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCn1cc2c(N3CCCC3Cn3nc4c(cc3=O)CCCC4)ncnc2n1
InChIInChI=1S/C19H23N7O/c1-24-11-15-18(23-24)20-12-21-19(15)25-8-4-6-14(25)10-26-17(27)9-13-5-2-3-7-16(13)22-26/h9,11-12,14H,2-8,10H2,1H3
InChIKeyKFPSLNGNIICXOK-UHFFFAOYSA-N
XLogP1.47
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924991
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
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-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]-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-(2-cyclopropyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924811
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-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924632
2-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126865042

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126925028) is 2-[[1-(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is Cn1cc2c(N3CCCC3Cn3nc4c(cc3=O)CCCC4)ncnc2n1.
What is the InChIKey of 2-[[1-(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is KFPSLNGNIICXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-24-11-15-18(23-24)20-12-21-19(15)25-8-4-6-14(25)10-26-17(27)9-13-5-2-3-7-16(13)22-26/h9,11-12,14H,2-8,10H2,1H3.
What are the key properties of 2-[[1-(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 365.44 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126925028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).