(2R)-2-(4-methylpyrazol-1-yl)-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide

C19H22F3N5O2 — CID 95867189

IUPAC(2R)-2-(4-methylpyrazol-1-yl)-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide
SMILESCc1cnn([C@H](C)C(=O)Nc2nn(CC(F)(F)F)c3cc(OC(C)C)ccc23)c1
InChIInChI=1S/C19H22F3N5O2/c1-11(2)29-14-5-6-15-16(7-14)27(10-19(20,21)22)25-17(15)24-18(28)13(4)26-9-12(3)8-23-26/h5-9,11,13H,10H2,1-4H3,(H,24,25,28)/t13-/m1/s1
InChIKeyFYVIWCRIRHSLHY-CYBMUJFWSA-N
MW409.41 g/mol
LogP4.09
Rot. Bonds6

About (2R)-2-(4-methylpyrazol-1-yl)-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide

(2R)-2-(4-methylpyrazol-1-yl)-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide (PubChem CID 95867189) has the molecular formula C19H22F3N5O2 and a molecular weight of 409.41 g/mol. Its IUPAC name is (2R)-2-(4-methylpyrazol-1-yl)-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methylpyrazol-1-yl)-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide
PubChem CID95867189
Molecular FormulaC19H22F3N5O2
Molecular Weight409.41 g/mol
Exact Mass409.17
IUPAC Name(2R)-2-(4-methylpyrazol-1-yl)-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide
SMILESCc1cnn([C@H](C)C(=O)Nc2nn(CC(F)(F)F)c3cc(OC(C)C)ccc23)c1
InChIInChI=1S/C19H22F3N5O2/c1-11(2)29-14-5-6-15-16(7-14)27(10-19(20,21)22)25-17(15)24-18(28)13(4)26-9-12(3)8-23-26/h5-9,11,13H,10H2,1-4H3,(H,24,25,28)/t13-/m1/s1
InChIKeyFYVIWCRIRHSLHY-CYBMUJFWSA-N
XLogP4.09
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-(4-methylpyrazol-1-yl)-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylpyrazol-1-yl)-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide?
The IUPAC name of (2R)-2-(4-methylpyrazol-1-yl)-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide (CID 95867189) is (2R)-2-(4-methylpyrazol-1-yl)-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide.
What is the SMILES notation for (2R)-2-(4-methylpyrazol-1-yl)-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide?
The canonical SMILES for (2R)-2-(4-methylpyrazol-1-yl)-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide is Cc1cnn([C@H](C)C(=O)Nc2nn(CC(F)(F)F)c3cc(OC(C)C)ccc23)c1.
What is the InChIKey of (2R)-2-(4-methylpyrazol-1-yl)-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide?
The InChIKey is FYVIWCRIRHSLHY-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22F3N5O2/c1-11(2)29-14-5-6-15-16(7-14)27(10-19(20,21)22)25-17(15)24-18(28)13(4)26-9-12(3)8-23-26/h5-9,11,13H,10H2,1-4H3,(H,24,25,28)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-methylpyrazol-1-yl)-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide?
(2R)-2-(4-methylpyrazol-1-yl)-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide has a molecular weight of 409.41 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylpyrazol-1-yl)-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide is sourced from PubChem (CID 95867189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).