[(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone

C22H22F3N5O2 — CID 136718154

IUPAC[(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
SMILESO=C(c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CCCC[C@@H]1c1cccnc1
InChIInChI=1S/C22H22F3N5O2/c23-22(24,25)19-11-16(18-7-4-10-32-18)28-20-15(13-27-30(19)20)21(31)29-9-2-1-6-17(29)14-5-3-8-26-12-14/h3-5,7-8,10,12-13,16-17,19,28H,1-2,6,9,11H2/t16-,17-,19-/m1/s1
InChIKeyIRPULAJQASJBJI-ZHALLVOQSA-N
MW445.45 g/mol
LogP4.90
Rot. Bonds3

About [(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone

[(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone (PubChem CID 136718154) has the molecular formula C22H22F3N5O2 and a molecular weight of 445.45 g/mol. Its IUPAC name is [(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
PubChem CID136718154
Molecular FormulaC22H22F3N5O2
Molecular Weight445.45 g/mol
Exact Mass445.17
IUPAC Name[(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
SMILESO=C(c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CCCC[C@@H]1c1cccnc1
InChIInChI=1S/C22H22F3N5O2/c23-22(24,25)19-11-16(18-7-4-10-32-18)28-20-15(13-27-30(19)20)21(31)29-9-2-1-6-17(29)14-5-3-8-26-12-14/h3-5,7-8,10,12-13,16-17,19,28H,1-2,6,9,11H2/t16-,17-,19-/m1/s1
InChIKeyIRPULAJQASJBJI-ZHALLVOQSA-N
XLogP4.90
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone with MolForge

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Related Compounds

(5R,7R)-N-tert-butyl-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136843491
(5S,7R)-N-tert-butyl-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136843490
(5S,7S)-5-(furan-2-yl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135608624
[4-(1-adamantyl)piperazin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 4688868
ethyl (5S,7S)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 135827678
[(2R)-2-ethylpiperidin-1-yl]-[(5R,7S)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 137097479
(5S,7S)-5-(furan-2-yl)-N-(pyridin-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136762133
5-(furan-2-yl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3133842
5-(furan-2-yl)-N-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135619777
5-(furan-2-yl)-N-(2-methoxyethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3133851
(5S,7S)-5-(furan-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135726044
(5S,7R)-5-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1127528

Frequently Asked Questions

What is the IUPAC name of [(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone?
The IUPAC name of [(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone (CID 136718154) is [(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone.
What is the SMILES notation for [(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone?
The canonical SMILES for [(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone is O=C(c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CCCC[C@@H]1c1cccnc1.
What is the InChIKey of [(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone?
The InChIKey is IRPULAJQASJBJI-ZHALLVOQSA-N. The full InChI is InChI=1S/C22H22F3N5O2/c23-22(24,25)19-11-16(18-7-4-10-32-18)28-20-15(13-27-30(19)20)21(31)29-9-2-1-6-17(29)14-5-3-8-26-12-14/h3-5,7-8,10,12-13,16-17,19,28H,1-2,6,9,11H2/t16-,17-,19-/m1/s1.
What are the key properties of [(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone?
[(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone has a molecular weight of 445.45 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 136718154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).