5-(1-methylpyrazol-3-yl)-N-[(3R)-2-oxopyrrolidin-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

C21H18F3N5O3 — CID 170701268

IUPAC5-(1-methylpyrazol-3-yl)-N-[(3R)-2-oxopyrrolidin-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
SMILESCn1ccc(-c2cc(C(=O)N[C@@H]3CCNC3=O)cnc2Oc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C21H18F3N5O3/c1-29-9-7-16(28-29)15-10-12(18(30)27-17-6-8-25-19(17)31)11-26-20(15)32-14-4-2-13(3-5-14)21(22,23)24/h2-5,7,9-11,17H,6,8H2,1H3,(H,25,31)(H,27,30)/t17-/m1/s1
InChIKeySHJZLJABGCZFTE-QGZVFWFLSA-N
MW445.40 g/mol
LogP2.91
Rot. Bonds5

About 5-(1-methylpyrazol-3-yl)-N-[(3R)-2-oxopyrrolidin-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

5-(1-methylpyrazol-3-yl)-N-[(3R)-2-oxopyrrolidin-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (PubChem CID 170701268) has the molecular formula C21H18F3N5O3 and a molecular weight of 445.40 g/mol. Its IUPAC name is 5-(1-methylpyrazol-3-yl)-N-[(3R)-2-oxopyrrolidin-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1-methylpyrazol-3-yl)-N-[(3R)-2-oxopyrrolidin-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
PubChem CID170701268
Molecular FormulaC21H18F3N5O3
Molecular Weight445.40 g/mol
Exact Mass445.14
IUPAC Name5-(1-methylpyrazol-3-yl)-N-[(3R)-2-oxopyrrolidin-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
SMILESCn1ccc(-c2cc(C(=O)N[C@@H]3CCNC3=O)cnc2Oc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C21H18F3N5O3/c1-29-9-7-16(28-29)15-10-12(18(30)27-17-6-8-25-19(17)31)11-26-20(15)32-14-4-2-13(3-5-14)21(22,23)24/h2-5,7,9-11,17H,6,8H2,1H3,(H,25,31)(H,27,30)/t17-/m1/s1
InChIKeySHJZLJABGCZFTE-QGZVFWFLSA-N
XLogP2.91
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(1-methylpyrazol-3-yl)-N-[(3R)-2-oxopyrrolidin-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide 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 5-(1-methylpyrazol-3-yl)-N-[(3R)-2-oxopyrrolidin-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The IUPAC name of 5-(1-methylpyrazol-3-yl)-N-[(3R)-2-oxopyrrolidin-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (CID 170701268) is 5-(1-methylpyrazol-3-yl)-N-[(3R)-2-oxopyrrolidin-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 5-(1-methylpyrazol-3-yl)-N-[(3R)-2-oxopyrrolidin-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 5-(1-methylpyrazol-3-yl)-N-[(3R)-2-oxopyrrolidin-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is Cn1ccc(-c2cc(C(=O)N[C@@H]3CCNC3=O)cnc2Oc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 5-(1-methylpyrazol-3-yl)-N-[(3R)-2-oxopyrrolidin-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The InChIKey is SHJZLJABGCZFTE-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H18F3N5O3/c1-29-9-7-16(28-29)15-10-12(18(30)27-17-6-8-25-19(17)31)11-26-20(15)32-14-4-2-13(3-5-14)21(22,23)24/h2-5,7,9-11,17H,6,8H2,1H3,(H,25,31)(H,27,30)/t17-/m1/s1.
What are the key properties of 5-(1-methylpyrazol-3-yl)-N-[(3R)-2-oxopyrrolidin-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
5-(1-methylpyrazol-3-yl)-N-[(3R)-2-oxopyrrolidin-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide has a molecular weight of 445.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-3-yl)-N-[(3R)-2-oxopyrrolidin-3-yl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 170701268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).