8-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-propan-2-yl-3-azabicyclo[3.2.1]octan-2-one

C19H23N7O — CID 171357812

IUPAC8-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-propan-2-yl-3-azabicyclo[3.2.1]octan-2-one
SMILESCC(C)N1CC2CCC(C1=O)C2c1ncc2[nH]nc(-c3cnn(C)c3)c2n1
InChIInChI=1S/C19H23N7O/c1-10(2)26-9-11-4-5-13(19(26)27)15(11)18-20-7-14-17(22-18)16(24-23-14)12-6-21-25(3)8-12/h6-8,10-11,13,15H,4-5,9H2,1-3H3,(H,23,24)
InChIKeyAOKCEBWVSDFXDG-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.11
Rot. Bonds3

About 8-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-propan-2-yl-3-azabicyclo[3.2.1]octan-2-one

8-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-propan-2-yl-3-azabicyclo[3.2.1]octan-2-one (PubChem CID 171357812) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 8-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-propan-2-yl-3-azabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name8-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-propan-2-yl-3-azabicyclo[3.2.1]octan-2-one
PubChem CID171357812
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name8-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-propan-2-yl-3-azabicyclo[3.2.1]octan-2-one
SMILESCC(C)N1CC2CCC(C1=O)C2c1ncc2[nH]nc(-c3cnn(C)c3)c2n1
InChIInChI=1S/C19H23N7O/c1-10(2)26-9-11-4-5-13(19(26)27)15(11)18-20-7-14-17(22-18)16(24-23-14)12-6-21-25(3)8-12/h6-8,10-11,13,15H,4-5,9H2,1-3H3,(H,23,24)
InChIKeyAOKCEBWVSDFXDG-UHFFFAOYSA-N
XLogP2.11
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-propan-2-yl-3-azabicyclo[3.2.1]octan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-(oxan-4-yl)piperazin-2-one
CID 155484486
1-cyclopropyl-3-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one
CID 155484442
5-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
CID 177296637
4-[6-methoxy-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1,3-dimethylpiperazin-2-one
CID 155484485
3-methyl-8-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3,8-diazabicyclo[3.2.1]octan-2-one
CID 146449145
4-chloro-3,5-bis(1-methylpyrazol-4-yl)-1H-pyrazole;hydrochloride
CID 90481352
2-methyl-4-[4-[5-(3-methyl-2-oxo-3,8-diazabicyclo[3.2.1]octan-8-yl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]pyrazol-1-yl]benzonitrile
CID 146448841
2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine
CID 137038844
1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one
CID 71253757
5-chloro-4-fluoro-3-(1-methylpyrazol-4-yl)-1H-pyrazole
CID 134329154
5-chloro-3-(1-methylpyrazol-4-yl)-1H-1,2,4-triazole
CID 65199684
5-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]-7-propan-2-ylquinoxaline
CID 171830430

Frequently Asked Questions

What is the IUPAC name of 8-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-propan-2-yl-3-azabicyclo[3.2.1]octan-2-one?
The IUPAC name of 8-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-propan-2-yl-3-azabicyclo[3.2.1]octan-2-one (CID 171357812) is 8-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-propan-2-yl-3-azabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for 8-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-propan-2-yl-3-azabicyclo[3.2.1]octan-2-one?
The canonical SMILES for 8-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-propan-2-yl-3-azabicyclo[3.2.1]octan-2-one is CC(C)N1CC2CCC(C1=O)C2c1ncc2[nH]nc(-c3cnn(C)c3)c2n1.
What is the InChIKey of 8-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-propan-2-yl-3-azabicyclo[3.2.1]octan-2-one?
The InChIKey is AOKCEBWVSDFXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-10(2)26-9-11-4-5-13(19(26)27)15(11)18-20-7-14-17(22-18)16(24-23-14)12-6-21-25(3)8-12/h6-8,10-11,13,15H,4-5,9H2,1-3H3,(H,23,24).
What are the key properties of 8-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-propan-2-yl-3-azabicyclo[3.2.1]octan-2-one?
8-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-propan-2-yl-3-azabicyclo[3.2.1]octan-2-one has a molecular weight of 365.44 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-propan-2-yl-3-azabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 171357812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).