5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C27H31F2N5O5 — CID 147131093

IUPAC5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CC[C@@H](Oc2ccc(F)cc2[C@H]2C[C@H](F)CN2c2ccn3ncc(C(=O)O)c3n2)C1
InChIInChI=1S/C27H31F2N5O5/c1-27(2,3)39-26(37)31-17-5-6-18(12-17)38-22-7-4-15(28)10-19(22)21-11-16(29)14-33(21)23-8-9-34-24(32-23)20(13-30-34)25(35)36/h4,7-10,13,16-18,21H,5-6,11-12,14H2,1-3H3,(H,31,37)(H,35,36)/t16-,17-,18+,21+/m0/s1
InChIKeyBQFSJTWJVPJGME-LXGFNABISA-N
MW543.57 g/mol
LogP4.68
Rot. Bonds6

About 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 147131093) has the molecular formula C27H31F2N5O5 and a molecular weight of 543.57 g/mol. Its IUPAC name is 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID147131093
Molecular FormulaC27H31F2N5O5
Molecular Weight543.57 g/mol
Exact Mass543.23
IUPAC Name5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CC[C@@H](Oc2ccc(F)cc2[C@H]2C[C@H](F)CN2c2ccn3ncc(C(=O)O)c3n2)C1
InChIInChI=1S/C27H31F2N5O5/c1-27(2,3)39-26(37)31-17-5-6-18(12-17)38-22-7-4-15(28)10-19(22)21-11-16(29)14-33(21)23-8-9-34-24(32-23)20(13-30-34)25(35)36/h4,7-10,13,16-18,21H,5-6,11-12,14H2,1-3H3,(H,31,37)(H,35,36)/t16-,17-,18+,21+/m0/s1
InChIKeyBQFSJTWJVPJGME-LXGFNABISA-N
XLogP4.68
TPSA118.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.57
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid 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

Repotrectinib
CID 135565923
N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 155126886
Trk-IN-6
CID 155668394
Pyrazolo[1,5-a]pyrimidine derivative 26
CID 58386265
N-cyclopropyl-5-((2R)-2-(3-(2,3-dihydroxypropoxy)-5-fluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66853176
(R)-N-cyclopropyl-5-(2-(5-fluoro-2-(2-morpholinoethoxy)phenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500657
Trk-IN-10
CID 163196393
7-(difluoromethyl)-N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2168938
(R)-5-(2-(5-fluoro-2-methoxypyridin-3-yl)pyrrolidin-1-yl)-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 49839233
N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66900385
5-((R)-2-(5-fluoro-2-methoxypyridin-3-yl)pyrrolidin-1-yl)-N-((trans)-4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500160
US10246466, Example 20
CID 91826251

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 147131093) is 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CC(C)(C)OC(=O)N[C@H]1CC[C@@H](Oc2ccc(F)cc2[C@H]2C[C@H](F)CN2c2ccn3ncc(C(=O)O)c3n2)C1.
What is the InChIKey of 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is BQFSJTWJVPJGME-LXGFNABISA-N. The full InChI is InChI=1S/C27H31F2N5O5/c1-27(2,3)39-26(37)31-17-5-6-18(12-17)38-22-7-4-15(28)10-19(22)21-11-16(29)14-33(21)23-8-9-34-24(32-23)20(13-30-34)25(35)36/h4,7-10,13,16-18,21H,5-6,11-12,14H2,1-3H3,(H,31,37)(H,35,36)/t16-,17-,18+,21+/m0/s1.
What are the key properties of 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 543.57 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxyphenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 147131093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).