3-(5-methoxy-2-propyl-3-pyridinyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;methylcyclopropane

C23H32N6O — CID 176941983

IUPAC3-(5-methoxy-2-propyl-3-pyridinyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;methylcyclopropane
SMILESCC1CC1.CCCc1ncc(OC)cc1-c1cnn2ccc(N3CCNCC3)nc12
InChIInChI=1S/C19H24N6O.C4H8/c1-3-4-17-15(11-14(26-2)12-21-17)16-13-22-25-8-5-18(23-19(16)25)24-9-6-20-7-10-24;1-4-2-3-4/h5,8,11-13,20H,3-4,6-7,9-10H2,1-2H3;4H,2-3H2,1H3
InChIKeyXFKSVNWOKFPSMI-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.58
Rot. Bonds5

About 3-(5-methoxy-2-propyl-3-pyridinyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;methylcyclopropane

3-(5-methoxy-2-propyl-3-pyridinyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;methylcyclopropane (PubChem CID 176941983) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is 3-(5-methoxy-2-propyl-3-pyridinyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;methylcyclopropane.

Molecular Properties

Compound Name3-(5-methoxy-2-propyl-3-pyridinyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;methylcyclopropane
PubChem CID176941983
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC Name3-(5-methoxy-2-propyl-3-pyridinyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;methylcyclopropane
SMILESCC1CC1.CCCc1ncc(OC)cc1-c1cnn2ccc(N3CCNCC3)nc12
InChIInChI=1S/C19H24N6O.C4H8/c1-3-4-17-15(11-14(26-2)12-21-17)16-13-22-25-8-5-18(23-19(16)25)24-9-6-20-7-10-24;1-4-2-3-4/h5,8,11-13,20H,3-4,6-7,9-10H2,1-2H3;4H,2-3H2,1H3
InChIKeyXFKSVNWOKFPSMI-UHFFFAOYSA-N
XLogP3.58
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(5-methoxy-2-propyl-3-pyridinyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;methylcyclopropane with MolForge

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Related Compounds

methylcyclopropane;5-piperazin-1-yl-3-(2-propyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 176941825
6-methoxy-5-piperazin-1-yl-3-(2-propyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 176942090
(4R)-4-[2-[4-[3-(2-cyclopropyloxy-5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-oxoethyl]-1-methylpyrrolidin-2-one
CID 176875103
3-(3,5-dimethoxyphenyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 24865113
2-methyl-5-piperazin-1-yl-3-(2-propyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 176942032
3-propyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 134386294
N-ethyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid
CID 159646006
1-(5-methoxy-2-pyridinyl)-1,4-diazepane
CID 83848456
3-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 123303911
[(3S)-1-methyl-5-oxopyrrolidin-3-yl] 4-[3-[2-cyclopropyloxy-5-(trifluoromethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
CID 177112426
1-(5-propyl-2-pyridinyl)piperazine
CID 152988088
N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid
CID 162266155

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-2-propyl-3-pyridinyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;methylcyclopropane?
The IUPAC name of 3-(5-methoxy-2-propyl-3-pyridinyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;methylcyclopropane (CID 176941983) is 3-(5-methoxy-2-propyl-3-pyridinyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;methylcyclopropane.
What is the SMILES notation for 3-(5-methoxy-2-propyl-3-pyridinyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;methylcyclopropane?
The canonical SMILES for 3-(5-methoxy-2-propyl-3-pyridinyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;methylcyclopropane is CC1CC1.CCCc1ncc(OC)cc1-c1cnn2ccc(N3CCNCC3)nc12.
What is the InChIKey of 3-(5-methoxy-2-propyl-3-pyridinyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;methylcyclopropane?
The InChIKey is XFKSVNWOKFPSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O.C4H8/c1-3-4-17-15(11-14(26-2)12-21-17)16-13-22-25-8-5-18(23-19(16)25)24-9-6-20-7-10-24;1-4-2-3-4/h5,8,11-13,20H,3-4,6-7,9-10H2,1-2H3;4H,2-3H2,1H3.
What are the key properties of 3-(5-methoxy-2-propyl-3-pyridinyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;methylcyclopropane?
3-(5-methoxy-2-propyl-3-pyridinyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;methylcyclopropane has a molecular weight of 408.55 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-2-propyl-3-pyridinyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;methylcyclopropane is sourced from PubChem (CID 176941983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).