5,7-dimethyl-3-[[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine

C20H25N5 — CID 124973365

IUPAC5,7-dimethyl-3-[[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2ncc(CN3CCC[C@@H](Cc4cccnc4)C3)c2n1
InChIInChI=1S/C20H25N5/c1-15-9-16(2)25-20(23-15)19(12-22-25)14-24-8-4-6-18(13-24)10-17-5-3-7-21-11-17/h3,5,7,9,11-12,18H,4,6,8,10,13-14H2,1-2H3/t18-/m0/s1
InChIKeyKJOUUEATXLRZDO-SFHVURJKSA-N
MW335.46 g/mol
LogP3.20
Rot. Bonds4

About 5,7-dimethyl-3-[[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine

5,7-dimethyl-3-[[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 124973365) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is 5,7-dimethyl-3-[[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-3-[[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
PubChem CID124973365
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC Name5,7-dimethyl-3-[[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2ncc(CN3CCC[C@@H](Cc4cccnc4)C3)c2n1
InChIInChI=1S/C20H25N5/c1-15-9-16(2)25-20(23-15)19(12-22-25)14-24-8-4-6-18(13-24)10-17-5-3-7-21-11-17/h3,5,7,9,11-12,18H,4,6,8,10,13-14H2,1-2H3/t18-/m0/s1
InChIKeyKJOUUEATXLRZDO-SFHVURJKSA-N
XLogP3.20
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,7-dimethyl-3-[[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

5,7-dimethyl-3-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 125027023
N-[2-[(3R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-3-yl]ethyl]acetamide
CID 95230082
5,7-dimethyl-3-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 77098483
2-methyl-6-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 124952443
4-[(3R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-3-yl]benzoic acid
CID 97188266
4-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-3-yl]benzoic acid
CID 72844801
5,7-dimethyl-3-[[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 110106306
2-[[3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 127246448
5,7-dimethyl-3-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 95119708
3-[(4-cyclohexylpiperazin-1-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 77083067
3-[[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 124983720
(2S)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 125007734

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-[[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-3-[[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine (CID 124973365) is 5,7-dimethyl-3-[[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-3-[[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-3-[[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2ncc(CN3CCC[C@@H](Cc4cccnc4)C3)c2n1.
What is the InChIKey of 5,7-dimethyl-3-[[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is KJOUUEATXLRZDO-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N5/c1-15-9-16(2)25-20(23-15)19(12-22-25)14-24-8-4-6-18(13-24)10-17-5-3-7-21-11-17/h3,5,7,9,11-12,18H,4,6,8,10,13-14H2,1-2H3/t18-/m0/s1.
What are the key properties of 5,7-dimethyl-3-[[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine?
5,7-dimethyl-3-[[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 335.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-[[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 124973365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).