3-(2-methoxy-3-pyridinyl)-5-[4-(5-propan-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

C22H26N8O — CID 166518423

IUPAC3-(2-methoxy-3-pyridinyl)-5-[4-(5-propan-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCOc1ncccc1-c1cnn2ccc(N3CCN(c4cc(C(C)C)[nH]n4)CC3)nc12
InChIInChI=1S/C22H26N8O/c1-15(2)18-13-20(27-26-18)29-11-9-28(10-12-29)19-6-8-30-21(25-19)17(14-24-30)16-5-4-7-23-22(16)31-3/h4-8,13-15H,9-12H2,1-3H3,(H,26,27)
InChIKeyCCFLMUVDMVATAL-UHFFFAOYSA-N
MW418.51 g/mol
LogP2.97
Rot. Bonds5

About 3-(2-methoxy-3-pyridinyl)-5-[4-(5-propan-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

3-(2-methoxy-3-pyridinyl)-5-[4-(5-propan-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 166518423) has the molecular formula C22H26N8O and a molecular weight of 418.51 g/mol. Its IUPAC name is 3-(2-methoxy-3-pyridinyl)-5-[4-(5-propan-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(2-methoxy-3-pyridinyl)-5-[4-(5-propan-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID166518423
Molecular FormulaC22H26N8O
Molecular Weight418.51 g/mol
Exact Mass418.22
IUPAC Name3-(2-methoxy-3-pyridinyl)-5-[4-(5-propan-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCOc1ncccc1-c1cnn2ccc(N3CCN(c4cc(C(C)C)[nH]n4)CC3)nc12
InChIInChI=1S/C22H26N8O/c1-15(2)18-13-20(27-26-18)29-11-9-28(10-12-29)19-6-8-30-21(25-19)17(14-24-30)16-5-4-7-23-22(16)31-3/h4-8,13-15H,9-12H2,1-3H3,(H,26,27)
InChIKeyCCFLMUVDMVATAL-UHFFFAOYSA-N
XLogP2.97
TPSA87.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid
CID 175841381
tert-butyl 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 175841358
methylcyclopropane;5-piperazin-1-yl-3-(2-propyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 176941825
3-(5-methoxy-2-propyl-3-pyridinyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;methylcyclopropane
CID 176941983
propan-2-yl 4-[3-(6-methoxy-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
CID 86697443
hexan-2-one;3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 161173714
4-[3-[2-(cyclopropylmethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylic acid;hexan-2-one;2-methylpentane
CID 176941980
(5S)-1-(3,3-dimethylbutyl)-5-[[[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]pyrrolidin-2-one
CID 71744726
5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 155942593
[4-oxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl] 4-[3-[2-(1-methoxycarbonylazetidin-3-yl)oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
CID 177112419
tert-butyl 1-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate
CID 167436683

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-3-pyridinyl)-5-[4-(5-propan-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 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) is 3-(2-methoxy-3-pyridinyl)-5-[4-(5-propan-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(2-methoxy-3-pyridinyl)-5-[4-(5-propan-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(2-methoxy-3-pyridinyl)-5-[4-(5-propan-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is COc1ncccc1-c1cnn2ccc(N3CCN(c4cc(C(C)C)[nH]n4)CC3)nc12.
What is the InChIKey of 3-(2-methoxy-3-pyridinyl)-5-[4-(5-propan-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is CCFLMUVDMVATAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O/c1-15(2)18-13-20(27-26-18)29-11-9-28(10-12-29)19-6-8-30-21(25-19)17(14-24-30)16-5-4-7-23-22(16)31-3/h4-8,13-15H,9-12H2,1-3H3,(H,26,27).
What are the key properties of 3-(2-methoxy-3-pyridinyl)-5-[4-(5-propan-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
3-(2-methoxy-3-pyridinyl)-5-[4-(5-propan-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 418.51 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-3-pyridinyl)-5-[4-(5-propan-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 166518423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).