propan-2-yl 4-[3-(6-methoxy-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate

C20H24N6O3 — CID 86697443

IUPACpropan-2-yl 4-[3-(6-methoxy-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
SMILESCOc1cccc(-c2cnn3ccc(N4CCN(C(=O)OC(C)C)CC4)nc23)n1
InChIInChI=1S/C20H24N6O3/c1-14(2)29-20(27)25-11-9-24(10-12-25)17-7-8-26-19(23-17)15(13-21-26)16-5-4-6-18(22-16)28-3/h4-8,13-14H,9-12H2,1-3H3
InChIKeyQSGPOFSBWSWBIR-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.47
Rot. Bonds4

About propan-2-yl 4-[3-(6-methoxy-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate

propan-2-yl 4-[3-(6-methoxy-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate (PubChem CID 86697443) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is propan-2-yl 4-[3-(6-methoxy-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[3-(6-methoxy-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
PubChem CID86697443
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Namepropan-2-yl 4-[3-(6-methoxy-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
SMILESCOc1cccc(-c2cnn3ccc(N4CCN(C(=O)OC(C)C)CC4)nc23)n1
InChIInChI=1S/C20H24N6O3/c1-14(2)29-20(27)25-11-9-24(10-12-25)17-7-8-26-19(23-17)15(13-21-26)16-5-4-6-18(22-16)28-3/h4-8,13-14H,9-12H2,1-3H3
InChIKeyQSGPOFSBWSWBIR-UHFFFAOYSA-N
XLogP2.47
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze propan-2-yl 4-[3-(6-methoxy-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

propan-2-yl 4-[3-(2-propan-2-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
CID 71744766
propan-2-yl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
CID 86697442
4-(6-methoxy-2-pyridinyl)piperazine-1-carboxylic acid
CID 91502477
3-(2-methoxy-3-pyridinyl)-5-[4-(5-propan-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 166518423
1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 158621438
1-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]ethanol
CID 106837299
propan-2-yl 4-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate
CID 86696477
1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 170379383
5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 121208399
ethyl 5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 122672896
7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid
CID 175841381
propan-2-yl 4-(3-phenylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;hydrochloride
CID 86696442

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[3-(6-methoxy-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[3-(6-methoxy-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate (CID 86697443) is propan-2-yl 4-[3-(6-methoxy-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[3-(6-methoxy-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[3-(6-methoxy-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate is COc1cccc(-c2cnn3ccc(N4CCN(C(=O)OC(C)C)CC4)nc23)n1.
What is the InChIKey of propan-2-yl 4-[3-(6-methoxy-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate?
The InChIKey is QSGPOFSBWSWBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-14(2)29-20(27)25-11-9-24(10-12-25)17-7-8-26-19(23-17)15(13-21-26)16-5-4-6-18(22-16)28-3/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of propan-2-yl 4-[3-(6-methoxy-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate?
propan-2-yl 4-[3-(6-methoxy-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate has a molecular weight of 396.45 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[3-(6-methoxy-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate is sourced from PubChem (CID 86697443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).