trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;bis(2,2,2-trifluoroacetic acid)

C34H38F7N3O5 — CID 127024417

IUPACtrans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCCCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)CC)C(=O)[C@@H]3C[C@H]3c3ncccc3F)cc2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C30H36FN3O.2C2HF3O2/c1-4-7-21-9-11-22(12-10-21)23-13-15-24(16-14-23)34(19-28(32)20(3)5-2)30(35)26-18-25(26)29-27(31)8-6-17-33-29;2*3-2(4,5)1(6)7/h6,8-17,20,25-26,28H,4-5,7,18-19,32H2,1-3H3;2*(H,6,7)/t20-,25+,26+,28+;;/m0../s1
InChIKeySFOUNCIHIOSLAG-PAUJZFHMSA-N
MW701.68 g/mol
LogP7.62
Rot. Bonds10

About trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;bis(2,2,2-trifluoroacetic acid)

trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 127024417) has the molecular formula C34H38F7N3O5 and a molecular weight of 701.68 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID127024417
Molecular FormulaC34H38F7N3O5
Molecular Weight701.68 g/mol
Exact Mass701.27
IUPAC Nametrans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCCCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)CC)C(=O)[C@@H]3C[C@H]3c3ncccc3F)cc2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C30H36FN3O.2C2HF3O2/c1-4-7-21-9-11-22(12-10-21)23-13-15-24(16-14-23)34(19-28(32)20(3)5-2)30(35)26-18-25(26)29-27(31)8-6-17-33-29;2*3-2(4,5)1(6)7/h6,8-17,20,25-26,28H,4-5,7,18-19,32H2,1-3H3;2*(H,6,7)/t20-,25+,26+,28+;;/m0../s1
InChIKeySFOUNCIHIOSLAG-PAUJZFHMSA-N
XLogP7.62
TPSA133.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.68
LogP ≤ 57.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;bis(2,2,2-trifluoroacetic acid) 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 trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 127024417) is trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;bis(2,2,2-trifluoroacetic acid) is CCCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)CC)C(=O)[C@@H]3C[C@H]3c3ncccc3F)cc2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is SFOUNCIHIOSLAG-PAUJZFHMSA-N. The full InChI is InChI=1S/C30H36FN3O.2C2HF3O2/c1-4-7-21-9-11-22(12-10-21)23-13-15-24(16-14-23)34(19-28(32)20(3)5-2)30(35)26-18-25(26)29-27(31)8-6-17-33-29;2*3-2(4,5)1(6)7/h6,8-17,20,25-26,28H,4-5,7,18-19,32H2,1-3H3;2*(H,6,7)/t20-,25+,26+,28+;;/m0../s1.
What are the key properties of trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;bis(2,2,2-trifluoroacetic acid)?
trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 701.68 g/mol, XLogP of 7.62, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-fluoro-2-pyridinyl)-N-[4-(4-propylphenyl)phenyl]cyclopropane-1-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 127024417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).