(2R)-1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid

C27H20F2N6O3 — CID 144707767

IUPAC(2R)-1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2ccccc2C1Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F
InChIInChI=1S/C27H20F2N6O3/c28-19-8-4-2-6-16(19)14-35-23(21-9-10-38-34-21)12-22(33-35)26-30-13-20(29)25(32-26)31-24-17-7-3-1-5-15(17)11-18(24)27(36)37/h1-10,12-13,18,24H,11,14H2,(H,36,37)(H,30,31,32)/t18-,24?/m1/s1
InChIKeyTWVUIOUSLUZSKB-QFADGXAASA-N
MW514.49 g/mol
LogP4.73
Rot. Bonds7

About (2R)-1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid

(2R)-1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid (PubChem CID 144707767) has the molecular formula C27H20F2N6O3 and a molecular weight of 514.49 g/mol. Its IUPAC name is (2R)-1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid
PubChem CID144707767
Molecular FormulaC27H20F2N6O3
Molecular Weight514.49 g/mol
Exact Mass514.16
IUPAC Name(2R)-1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2ccccc2C1Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F
InChIInChI=1S/C27H20F2N6O3/c28-19-8-4-2-6-16(19)14-35-23(21-9-10-38-34-21)12-22(33-35)26-30-13-20(29)25(32-26)31-24-17-7-3-1-5-15(17)11-18(24)27(36)37/h1-10,12-13,18,24H,11,14H2,(H,36,37)(H,30,31,32)/t18-,24?/m1/s1
InChIKeyTWVUIOUSLUZSKB-QFADGXAASA-N
XLogP4.73
TPSA118.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.49
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2R)-1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-indene-2-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

1,1,1,3,3,3-Hexafluoro-2-(((5-fluoro-2-(1-((2-fluorophenyl)methyl)-5-(3-isoxazolyl)-1H-pyrazol-3-yl)-4-pyrimidinyl)amino)methyl)-2-propanol
CID 86269973
Olinciguat
CID 90445883
(2S,3R)-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-3-methylpiperidine-2-carboxylic acid
CID 90446095
2-[1-[(2-fluorophenyl)methyl]-5-(3-isoxazolyl)-1H-pyrazol-3-yl]-4-pyrimidinamine
CID 68642339
5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine
CID 68643387
3-[1-[(2-Fluorophenyl)methyl]-3-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
CID 86267516
3-[1-[(2-Fluorophenyl)methyl]-3-(5-fluoro-4-piperidin-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
CID 86267517
4-[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]morpholine
CID 86267518
3-[1-[(2-Fluorophenyl)methyl]-3-(5-fluoro-4-piperazin-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
CID 86267519
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 86267722
1-[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidin-4-ol
CID 86267726
1-[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidin-3-ol
CID 86267930

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid?
The IUPAC name of (2R)-1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid (CID 144707767) is (2R)-1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid?
The canonical SMILES for (2R)-1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid is O=C(O)[C@@H]1Cc2ccccc2C1Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F.
What is the InChIKey of (2R)-1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid?
The InChIKey is TWVUIOUSLUZSKB-QFADGXAASA-N. The full InChI is InChI=1S/C27H20F2N6O3/c28-19-8-4-2-6-16(19)14-35-23(21-9-10-38-34-21)12-22(33-35)26-30-13-20(29)25(32-26)31-24-17-7-3-1-5-15(17)11-18(24)27(36)37/h1-10,12-13,18,24H,11,14H2,(H,36,37)(H,30,31,32)/t18-,24?/m1/s1.
What are the key properties of (2R)-1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid?
(2R)-1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid has a molecular weight of 514.49 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2,3-dihydro-1H-indene-2-carboxylic acid is sourced from PubChem (CID 144707767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).