(2S,4R)-1-[2-(4-chloropyrazol-1-yl)acetyl]-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide

C26H28ClFN4O2 — CID 165140671

IUPAC(2S,4R)-1-[2-(4-chloropyrazol-1-yl)acetyl]-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1ccc([C@@H](NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2cc(Cl)cn2)c2ccccc2)cc1
InChIInChI=1S/C26H28ClFN4O2/c1-17(2)18-8-10-20(11-9-18)25(19-6-4-3-5-7-19)30-26(34)23-12-22(28)15-32(23)24(33)16-31-14-21(27)13-29-31/h3-11,13-14,17,22-23,25H,12,15-16H2,1-2H3,(H,30,34)/t22-,23+,25+/m1/s1
InChIKeyMWAYNHPOCVOICE-CUYJMHBOSA-N
MW482.99 g/mol
LogP4.50
Rot. Bonds7

About (2S,4R)-1-[2-(4-chloropyrazol-1-yl)acetyl]-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide

(2S,4R)-1-[2-(4-chloropyrazol-1-yl)acetyl]-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 165140671) has the molecular formula C26H28ClFN4O2 and a molecular weight of 482.99 g/mol. Its IUPAC name is (2S,4R)-1-[2-(4-chloropyrazol-1-yl)acetyl]-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-[2-(4-chloropyrazol-1-yl)acetyl]-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID165140671
Molecular FormulaC26H28ClFN4O2
Molecular Weight482.99 g/mol
Exact Mass482.19
IUPAC Name(2S,4R)-1-[2-(4-chloropyrazol-1-yl)acetyl]-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1ccc([C@@H](NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2cc(Cl)cn2)c2ccccc2)cc1
InChIInChI=1S/C26H28ClFN4O2/c1-17(2)18-8-10-20(11-9-18)25(19-6-4-3-5-7-19)30-26(34)23-12-22(28)15-32(23)24(33)16-31-14-21(27)13-29-31/h3-11,13-14,17,22-23,25H,12,15-16H2,1-2H3,(H,30,34)/t22-,23+,25+/m1/s1
InChIKeyMWAYNHPOCVOICE-CUYJMHBOSA-N
XLogP4.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.99
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 124220775
CID 124220775
CID 90430348
CID 90430348
CID 90430567
CID 90430567
CID 90430578
CID 90430578
CID 90430794
CID 90430794
CID 90430841
CID 90430841
CID 90443158
CID 90443158
CID 90443268
CID 90443268
CID 91937189
CID 91937189
CID 146676349
CID 146676349
CID 165138429
CID 165138429
CID 165138600
CID 165138600

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[2-(4-chloropyrazol-1-yl)acetyl]-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-[2-(4-chloropyrazol-1-yl)acetyl]-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide (CID 165140671) is (2S,4R)-1-[2-(4-chloropyrazol-1-yl)acetyl]-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-[2-(4-chloropyrazol-1-yl)acetyl]-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-[2-(4-chloropyrazol-1-yl)acetyl]-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide is CC(C)c1ccc([C@@H](NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2cc(Cl)cn2)c2ccccc2)cc1.
What is the InChIKey of (2S,4R)-1-[2-(4-chloropyrazol-1-yl)acetyl]-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is MWAYNHPOCVOICE-CUYJMHBOSA-N. The full InChI is InChI=1S/C26H28ClFN4O2/c1-17(2)18-8-10-20(11-9-18)25(19-6-4-3-5-7-19)30-26(34)23-12-22(28)15-32(23)24(33)16-31-14-21(27)13-29-31/h3-11,13-14,17,22-23,25H,12,15-16H2,1-2H3,(H,30,34)/t22-,23+,25+/m1/s1.
What are the key properties of (2S,4R)-1-[2-(4-chloropyrazol-1-yl)acetyl]-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
(2S,4R)-1-[2-(4-chloropyrazol-1-yl)acetyl]-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 482.99 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[2-(4-chloropyrazol-1-yl)acetyl]-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 165140671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).