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

C16H20N4O2 — CID 171941726

IUPAC(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCc1cc2ncc(C(=O)C3CC4COCC(C3)N4C)cn2n1
InChIInChI=1S/C16H20N4O2/c1-10-3-15-17-6-12(7-20(15)18-10)16(21)11-4-13-8-22-9-14(5-11)19(13)2/h3,6-7,11,13-14H,4-5,8-9H2,1-2H3
InChIKeyKZGQRARPCGIKCJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.33
Rot. Bonds2

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

(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (PubChem CID 171941726) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
PubChem CID171941726
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCc1cc2ncc(C(=O)C3CC4COCC(C3)N4C)cn2n1
InChIInChI=1S/C16H20N4O2/c1-10-3-15-17-6-12(7-20(15)18-10)16(21)11-4-13-8-22-9-14(5-11)19(13)2/h3,6-7,11,13-14H,4-5,8-9H2,1-2H3
InChIKeyKZGQRARPCGIKCJ-UHFFFAOYSA-N
XLogP1.33
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[1-(Oxan-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110101013
2-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-[5-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 158821000
2-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-[5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 158821001
2-[3-(Difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 160224347
2-[3-(Difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 161283404
2-[5-(Difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 161375871
7-Methyl-6-{[2-(4-methylpentyl)-4-morpholinyl]carbonyl}pyrazolo[1,5-a]pyrimidine
CID 56862025
[1-(2-Methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 87045046
[(2R)-2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 95402325
[(2S)-2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 95402326
N,N-dimethyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110100945
N,N-dimethyl-7-[1-(oxane-4-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110100947

Frequently Asked Questions

What is the IUPAC name of (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The IUPAC name of (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (CID 171941726) is (9-methyl-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-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The canonical SMILES for (9-methyl-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)N4C)cn2n1.
What is the InChIKey of (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The InChIKey is KZGQRARPCGIKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10-3-15-17-6-12(7-20(15)18-10)16(21)11-4-13-8-22-9-14(5-11)19(13)2/h3,6-7,11,13-14H,4-5,8-9H2,1-2H3.
What are the key properties of (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is sourced from PubChem (CID 171941726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).