(3R)-1-[(1R)-2-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-ol

C21H20F7N5O — CID 176845748

IUPAC(3R)-1-[(1R)-2-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-ol
SMILESC[C@@]1(O)CCN([C@@H](CNc2cc(C(F)(F)F)nc3cc(C(F)(F)F)nn23)c2ccc(F)cc2)C1
InChIInChI=1S/C21H20F7N5O/c1-19(34)6-7-32(11-19)14(12-2-4-13(22)5-3-12)10-29-17-8-15(20(23,24)25)30-18-9-16(21(26,27)28)31-33(17)18/h2-5,8-9,14,29,34H,6-7,10-11H2,1H3/t14-,19+/m0/s1
InChIKeyJULRKEFRGNPPPX-IFXJQAMLSA-N
MW491.41 g/mol
LogP4.52
Rot. Bonds5

About (3R)-1-[(1R)-2-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-ol

(3R)-1-[(1R)-2-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-ol (PubChem CID 176845748) has the molecular formula C21H20F7N5O and a molecular weight of 491.41 g/mol. Its IUPAC name is (3R)-1-[(1R)-2-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(1R)-2-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-ol
PubChem CID176845748
Molecular FormulaC21H20F7N5O
Molecular Weight491.41 g/mol
Exact Mass491.16
IUPAC Name(3R)-1-[(1R)-2-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-ol
SMILESC[C@@]1(O)CCN([C@@H](CNc2cc(C(F)(F)F)nc3cc(C(F)(F)F)nn23)c2ccc(F)cc2)C1
InChIInChI=1S/C21H20F7N5O/c1-19(34)6-7-32(11-19)14(12-2-4-13(22)5-3-12)10-29-17-8-15(20(23,24)25)30-18-9-16(21(26,27)28)31-33(17)18/h2-5,8-9,14,29,34H,6-7,10-11H2,1H3/t14-,19+/m0/s1
InChIKeyJULRKEFRGNPPPX-IFXJQAMLSA-N
XLogP4.52
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.41
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[(1R)-2-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S)-4-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-3-ol
CID 118329676
1-((2-(7-fluoro-3-methylquinoxalin-2-yl)-5-((3R)-3-fluoropyrrolidin-1-yl)pyrazolo(1,5-a)pyrimidin-7-yl)amino)-2-methylpropan-2-ol
CID 53374175
3-(4-fluorophenyl)-2,5-dimethyl-N-[3-(morpholin-4-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 647327
N-[2-(dimethylamino)ethyl]-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.0^{3,7}]dodeca-2,7,9,11-tetraen-2-amine
CID 1862402
2-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3231326
3-[2-Ethyl-3-(4-fluoro-phenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-ylamino]-propan-1-ol
CID 3231330
2-[[2-Ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]ethanol
CID 3231332
2,5-dimethyl-N-[3-(morpholin-4-yl)propyl]-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 665671
2,5-dimethyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2002577
10-(4-fluoro-2-methylphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 23567868
(2R)-3-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]propane-1,2-diol
CID 24949705
(3R,5S)-5-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]pyrrolidin-3-ol
CID 118329734

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1R)-2-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(1R)-2-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-ol (CID 176845748) is (3R)-1-[(1R)-2-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(1R)-2-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(1R)-2-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-ol is C[C@@]1(O)CCN([C@@H](CNc2cc(C(F)(F)F)nc3cc(C(F)(F)F)nn23)c2ccc(F)cc2)C1.
What is the InChIKey of (3R)-1-[(1R)-2-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-ol?
The InChIKey is JULRKEFRGNPPPX-IFXJQAMLSA-N. The full InChI is InChI=1S/C21H20F7N5O/c1-19(34)6-7-32(11-19)14(12-2-4-13(22)5-3-12)10-29-17-8-15(20(23,24)25)30-18-9-16(21(26,27)28)31-33(17)18/h2-5,8-9,14,29,34H,6-7,10-11H2,1H3/t14-,19+/m0/s1.
What are the key properties of (3R)-1-[(1R)-2-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-ol?
(3R)-1-[(1R)-2-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-ol has a molecular weight of 491.41 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1R)-2-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 176845748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).