6-[4-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]piperazine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H26N6O2 — CID 98296895

IUPAC6-[4-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]piperazine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2ncc(C(=O)N3CCN([C@@H]4CN5CCC4CC5)CC3)c(=O)n2[nH]1
InChIInChI=1S/C19H26N6O2/c1-13-10-17-20-11-15(19(27)25(17)21-13)18(26)24-8-6-23(7-9-24)16-12-22-4-2-14(16)3-5-22/h10-11,14,16,21H,2-9,12H2,1H3/t16-/m1/s1
InChIKeySIBUHGUVSUNLEO-MRXNPFEDSA-N
MW370.46 g/mol
LogP0.18
Rot. Bonds2

About 6-[4-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]piperazine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-[4-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]piperazine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98296895) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 6-[4-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]piperazine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[4-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]piperazine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98296895
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name6-[4-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]piperazine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2ncc(C(=O)N3CCN([C@@H]4CN5CCC4CC5)CC3)c(=O)n2[nH]1
InChIInChI=1S/C19H26N6O2/c1-13-10-17-20-11-15(19(27)25(17)21-13)18(26)24-8-6-23(7-9-24)16-12-22-4-2-14(16)3-5-22/h10-11,14,16,21H,2-9,12H2,1H3/t16-/m1/s1
InChIKeySIBUHGUVSUNLEO-MRXNPFEDSA-N
XLogP0.18
TPSA76.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]piperazine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

2-methyl-6-({4-[1-(4-morpholinyl)ethyl]-1-piperidinyl}carbonyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 56882392
6-{[4-(1-azabicyclo[2.2.2]oct-3-yl)-1-piperazinyl]carbonyl}-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 70730595
6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70737387
2-methyl-6-[4-[(1R)-1-morpholin-4-ylethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98240656
2-methyl-6-[4-[(1S)-1-morpholin-4-ylethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98240658
6-[4-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]piperazine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98296896
2-methyl-6-{[(1R,2S,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 164692867

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]piperazine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[4-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]piperazine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98296895) is 6-[4-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]piperazine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[4-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]piperazine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[4-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]piperazine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2ncc(C(=O)N3CCN([C@@H]4CN5CCC4CC5)CC3)c(=O)n2[nH]1.
What is the InChIKey of 6-[4-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]piperazine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SIBUHGUVSUNLEO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-13-10-17-20-11-15(19(27)25(17)21-13)18(26)24-8-6-23(7-9-24)16-12-22-4-2-14(16)3-5-22/h10-11,14,16,21H,2-9,12H2,1H3/t16-/m1/s1.
What are the key properties of 6-[4-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]piperazine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[4-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]piperazine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 370.46 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]piperazine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98296895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).