(2S,4R)-N-[(4-cyclopropyl-3-fluoro-5-methylphenyl)-phenylmethyl]-4-fluoro-1-[2-(5-methyltetrazol-2-yl)acetyl]pyrrolidine-2-carboxamide

C26H28F2N6O2 — CID 165140116

IUPAC(2S,4R)-N-[(4-cyclopropyl-3-fluoro-5-methylphenyl)-phenylmethyl]-4-fluoro-1-[2-(5-methyltetrazol-2-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCc1nnn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC(c2ccccc2)c2cc(C)c(C3CC3)c(F)c2)n1
InChIInChI=1S/C26H28F2N6O2/c1-15-10-19(11-21(28)24(15)17-8-9-17)25(18-6-4-3-5-7-18)29-26(36)22-12-20(27)13-33(22)23(35)14-34-31-16(2)30-32-34/h3-7,10-11,17,20,22,25H,8-9,12-14H2,1-2H3,(H,29,36)/t20-,22+,25?/m1/s1
InChIKeyVDFCLPVCJFPKLU-BOQQILRGSA-N
MW494.55 g/mol
LogP3.15
Rot. Bonds7

About (2S,4R)-N-[(4-cyclopropyl-3-fluoro-5-methylphenyl)-phenylmethyl]-4-fluoro-1-[2-(5-methyltetrazol-2-yl)acetyl]pyrrolidine-2-carboxamide

(2S,4R)-N-[(4-cyclopropyl-3-fluoro-5-methylphenyl)-phenylmethyl]-4-fluoro-1-[2-(5-methyltetrazol-2-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 165140116) has the molecular formula C26H28F2N6O2 and a molecular weight of 494.55 g/mol. Its IUPAC name is (2S,4R)-N-[(4-cyclopropyl-3-fluoro-5-methylphenyl)-phenylmethyl]-4-fluoro-1-[2-(5-methyltetrazol-2-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-[(4-cyclopropyl-3-fluoro-5-methylphenyl)-phenylmethyl]-4-fluoro-1-[2-(5-methyltetrazol-2-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID165140116
Molecular FormulaC26H28F2N6O2
Molecular Weight494.55 g/mol
Exact Mass494.22
IUPAC Name(2S,4R)-N-[(4-cyclopropyl-3-fluoro-5-methylphenyl)-phenylmethyl]-4-fluoro-1-[2-(5-methyltetrazol-2-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCc1nnn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC(c2ccccc2)c2cc(C)c(C3CC3)c(F)c2)n1
InChIInChI=1S/C26H28F2N6O2/c1-15-10-19(11-21(28)24(15)17-8-9-17)25(18-6-4-3-5-7-18)29-26(36)22-12-20(27)13-33(22)23(35)14-34-31-16(2)30-32-34/h3-7,10-11,17,20,22,25H,8-9,12-14H2,1-2H3,(H,29,36)/t20-,22+,25?/m1/s1
InChIKeyVDFCLPVCJFPKLU-BOQQILRGSA-N
XLogP3.15
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S,4R)-N-[(4-cyclopropyl-3-fluoro-5-methylphenyl)-phenylmethyl]-4-fluoro-1-[2-(5-methyltetrazol-2-yl)acetyl]pyrrolidine-2-carboxamide 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

N-[(1R)-1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide
CID 10239095
(S,E)-N-Methyl-1-(3-(2-((5-methyl-2H-tetrazol-2-yl)methyl)-4-(trifluoromethyl) phenyl)acryloyl)piperidine-2-carboxamide
CID 90645657
(S,E)-N-Methyl-1-(3-(2-((5-methyl-2H-tetrazol-2-yl)methyl)-4-(trifluoromethyl)phenyl)acryloyl)pyrrolidine-2-carboxamide
CID 90646668
(S,E)-4,4-Difluoro-N-methyl-1-(3-(2-((5-methyl-2H-tetrazol-2-yl)methyl)-4-(trifluoromethyl)phenyl)acryloyl)pyrrolidine-2-carboxamide
CID 90646669
(2S,4R)-4-fluoro-N-[(S)-(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-[2-(2H-tetrazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 165138674
(2S,4R)-N-[(S)-(4-cyclopropyl-3-fluorophenyl)-phenylmethyl]-4-fluoro-1-[2-(5-methyltetrazol-2-yl)acetyl]pyrrolidine-2-carboxamide
CID 165139112
(2S,4R)-4-fluoro-N-[(R)-(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-[2-(2H-tetrazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 165139946
(2S,4R)-4-fluoro-N-[(S)-(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-[2-[5-(trifluoromethyl)tetrazol-1-yl]acetyl]pyrrolidine-2-carboxamide
CID 165140466
(2S,4R)-N-[(S)-(4-cyclopropyl-3-fluorophenyl)-phenylmethyl]-1-[2-[4-(dimethylamino)triazol-2-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide
CID 165140571
(2S,4R)-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]-1-[2-(2H-tetrazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 167188099
(2S,4R)-4-fluoro-1-[2-(5-methyltetrazol-1-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 167188101
(2S,4R)-N-[(S)-(4-cyclopropyl-3-fluorophenyl)-phenylmethyl]-4-fluoro-1-[2-(2H-tetrazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 169551306

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[(4-cyclopropyl-3-fluoro-5-methylphenyl)-phenylmethyl]-4-fluoro-1-[2-(5-methyltetrazol-2-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-[(4-cyclopropyl-3-fluoro-5-methylphenyl)-phenylmethyl]-4-fluoro-1-[2-(5-methyltetrazol-2-yl)acetyl]pyrrolidine-2-carboxamide (CID 165140116) is (2S,4R)-N-[(4-cyclopropyl-3-fluoro-5-methylphenyl)-phenylmethyl]-4-fluoro-1-[2-(5-methyltetrazol-2-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-[(4-cyclopropyl-3-fluoro-5-methylphenyl)-phenylmethyl]-4-fluoro-1-[2-(5-methyltetrazol-2-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-[(4-cyclopropyl-3-fluoro-5-methylphenyl)-phenylmethyl]-4-fluoro-1-[2-(5-methyltetrazol-2-yl)acetyl]pyrrolidine-2-carboxamide is Cc1nnn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC(c2ccccc2)c2cc(C)c(C3CC3)c(F)c2)n1.
What is the InChIKey of (2S,4R)-N-[(4-cyclopropyl-3-fluoro-5-methylphenyl)-phenylmethyl]-4-fluoro-1-[2-(5-methyltetrazol-2-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is VDFCLPVCJFPKLU-BOQQILRGSA-N. The full InChI is InChI=1S/C26H28F2N6O2/c1-15-10-19(11-21(28)24(15)17-8-9-17)25(18-6-4-3-5-7-18)29-26(36)22-12-20(27)13-33(22)23(35)14-34-31-16(2)30-32-34/h3-7,10-11,17,20,22,25H,8-9,12-14H2,1-2H3,(H,29,36)/t20-,22+,25?/m1/s1.
What are the key properties of (2S,4R)-N-[(4-cyclopropyl-3-fluoro-5-methylphenyl)-phenylmethyl]-4-fluoro-1-[2-(5-methyltetrazol-2-yl)acetyl]pyrrolidine-2-carboxamide?
(2S,4R)-N-[(4-cyclopropyl-3-fluoro-5-methylphenyl)-phenylmethyl]-4-fluoro-1-[2-(5-methyltetrazol-2-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 494.55 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-[(4-cyclopropyl-3-fluoro-5-methylphenyl)-phenylmethyl]-4-fluoro-1-[2-(5-methyltetrazol-2-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 165140116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).