(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

C22H24N4O2 — CID 171941727

IUPAC(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCc1cc2ncc(C(=O)C3CC4COCC(C3)N4Cc3ccccc3)cn2n1
InChIInChI=1S/C22H24N4O2/c1-15-7-21-23-10-18(12-26(21)24-15)22(27)17-8-19-13-28-14-20(9-17)25(19)11-16-5-3-2-4-6-16/h2-7,10,12,17,19-20H,8-9,11,13-14H2,1H3
InChIKeyYJZFHWDRPYRBOS-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.90
Rot. Bonds4

About (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (PubChem CID 171941727) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
PubChem CID171941727
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCc1cc2ncc(C(=O)C3CC4COCC(C3)N4Cc3ccccc3)cn2n1
InChIInChI=1S/C22H24N4O2/c1-15-7-21-23-10-18(12-26(21)24-15)22(27)17-8-19-13-28-14-20(9-17)25(19)11-16-5-3-2-4-6-16/h2-7,10,12,17,19-20H,8-9,11,13-14H2,1H3
InChIKeyYJZFHWDRPYRBOS-UHFFFAOYSA-N
XLogP2.90
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone 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

GSK-3|A inhibitor 13
CID 134551592
US10774086, Example 17
CID 134551553
US10774086, Example 18
CID 134551945
Reversan
CID 2298706
(7-Difluoromethyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-3-yl)-morpholin-4-yl-methanone
CID 652417
[3-[5-(2-Methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone
CID 155516993
4-[[3-[5-(2-Methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine
CID 155522306
7-(Difluoromethyl)-3-[(2,6-dimethyl-4-morpholinyl)carbonyl]-5-phenylpyrazolo[1,5-a]pyrimidine
CID 655890
N-[1-(5-methyl-2-pyridinyl)-3-[1-(oxan-3-yl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328098
N-[4-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
CID 167311801
N-[4-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
CID 171352056
7-(Difluoromethyl)-3-[(2,6-dimethyl-4-morpholinyl)carbonyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 2945406

Frequently Asked Questions

What is the IUPAC name of (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The IUPAC name of (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (CID 171941727) is (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.
What is the SMILES notation for (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The canonical SMILES for (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is Cc1cc2ncc(C(=O)C3CC4COCC(C3)N4Cc3ccccc3)cn2n1.
What is the InChIKey of (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The InChIKey is YJZFHWDRPYRBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-7-21-23-10-18(12-26(21)24-15)22(27)17-8-19-13-28-14-20(9-17)25(19)11-16-5-3-2-4-6-16/h2-7,10,12,17,19-20H,8-9,11,13-14H2,1H3.
What are the key properties of (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone has a molecular weight of 376.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is sourced from PubChem (CID 171941727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).