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

C16H20N4O — CID 171941716

IUPAC9-azabicyclo[3.3.1]nonan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCc1cc2ncc(C(=O)C3CC4CCCC(C3)N4)cn2n1
InChIInChI=1S/C16H20N4O/c1-10-5-15-17-8-12(9-20(15)19-10)16(21)11-6-13-3-2-4-14(7-11)18-13/h5,8-9,11,13-14,18H,2-4,6-7H2,1H3
InChIKeyMYRFMRMSRKOJON-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.14
Rot. Bonds2

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

9-azabicyclo[3.3.1]nonan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (PubChem CID 171941716) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 9-azabicyclo[3.3.1]nonan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name9-azabicyclo[3.3.1]nonan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
PubChem CID171941716
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name9-azabicyclo[3.3.1]nonan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCc1cc2ncc(C(=O)C3CC4CCCC(C3)N4)cn2n1
InChIInChI=1S/C16H20N4O/c1-10-5-15-17-8-12(9-20(15)19-10)16(21)11-6-13-3-2-4-14(7-11)18-13/h5,8-9,11,13-14,18H,2-4,6-7H2,1H3
InChIKeyMYRFMRMSRKOJON-UHFFFAOYSA-N
XLogP2.14
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-Cyclohexen-1-YL)ethyl]-6,7,8,9,10,11-hexahydrocycloocta[E]pyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 20919395
N-isopropyl-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 20919373
N-propyl-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 20919374
N-(3-methylbutyl)-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 20919378
N-cyclohexyl-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 20919400
N-[2-(4-methylpiperazin-1-yl)ethyl]-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 20919403
2-methyl-N-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 134792230
2-[3-(Difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-(5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 157943602
N-butan-2-yl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919353
N-(4-methylcyclohexyl)-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 20919385
N-(2-methylcyclohexyl)-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 20919389
N-methyl-7-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110101024

Frequently Asked Questions

What is the IUPAC name of 9-azabicyclo[3.3.1]nonan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The IUPAC name of 9-azabicyclo[3.3.1]nonan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (CID 171941716) is 9-azabicyclo[3.3.1]nonan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.
What is the SMILES notation for 9-azabicyclo[3.3.1]nonan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The canonical SMILES for 9-azabicyclo[3.3.1]nonan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is Cc1cc2ncc(C(=O)C3CC4CCCC(C3)N4)cn2n1.
What is the InChIKey of 9-azabicyclo[3.3.1]nonan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The InChIKey is MYRFMRMSRKOJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10-5-15-17-8-12(9-20(15)19-10)16(21)11-6-13-3-2-4-14(7-11)18-13/h5,8-9,11,13-14,18H,2-4,6-7H2,1H3.
What are the key properties of 9-azabicyclo[3.3.1]nonan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
9-azabicyclo[3.3.1]nonan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azabicyclo[3.3.1]nonan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is sourced from PubChem (CID 171941716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).