2-[(3R)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C22H26F3N5 — CID 92563417

IUPAC2-[(3R)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cnccc1CN1CCC[C@@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1
InChIInChI=1S/C22H26F3N5/c1-14(2)18-9-20(22(23,24)25)30-21(27-18)10-19(28-30)17-5-4-8-29(13-17)12-16-6-7-26-11-15(16)3/h6-7,9-11,14,17H,4-5,8,12-13H2,1-3H3/t17-/m1/s1
InChIKeyPNHAIGLWJIJXJO-QGZVFWFLSA-N
MW417.48 g/mol
LogP4.95
Rot. Bonds4

About 2-[(3R)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

2-[(3R)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 92563417) has the molecular formula C22H26F3N5 and a molecular weight of 417.48 g/mol. Its IUPAC name is 2-[(3R)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-[(3R)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID92563417
Molecular FormulaC22H26F3N5
Molecular Weight417.48 g/mol
Exact Mass417.21
IUPAC Name2-[(3R)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cnccc1CN1CCC[C@@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1
InChIInChI=1S/C22H26F3N5/c1-14(2)18-9-20(22(23,24)25)30-21(27-18)10-19(28-30)17-5-4-8-29(13-17)12-16-6-7-26-11-15(16)3/h6-7,9-11,14,17H,4-5,8,12-13H2,1-3H3/t17-/m1/s1
InChIKeyPNHAIGLWJIJXJO-QGZVFWFLSA-N
XLogP4.95
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 110238446
[3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110238477
N-methyl-3-[[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methyl]pyridin-2-amine
CID 46955658
[3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 110238559
5-ethyl-2-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 110238453
(5R,7S)-5-ethyl-2-[(3R)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136892136
4-[(3S)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]pyrimidine
CID 124976907
2-(4-methylpiperazin-1-yl)-1-[(3S)-3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 92580998
8-[[(3R)-3-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]quinoline
CID 95801734
[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[(3S)-3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92579203
5-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 110220911
5-propan-2-yl-2-[(2R)-1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 92580974

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-[(3R)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 92563417) is 2-[(3R)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-[(3R)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-[(3R)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cnccc1CN1CCC[C@@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1.
What is the InChIKey of 2-[(3R)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is PNHAIGLWJIJXJO-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26F3N5/c1-14(2)18-9-20(22(23,24)25)30-21(27-18)10-19(28-30)17-5-4-8-29(13-17)12-16-6-7-26-11-15(16)3/h6-7,9-11,14,17H,4-5,8,12-13H2,1-3H3/t17-/m1/s1.
What are the key properties of 2-[(3R)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-[(3R)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 417.48 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 92563417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).