cis-(1R,2S)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)-N-(4-fluoro-2-pyridinyl)cyclopropane-1-carboxamide

C23H23F2N5O — CID 67282729

IUPACcis-(1R,2S)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)-N-(4-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ncc(CNC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2cc(F)ccn2)c(C)n1
InChIInChI=1S/C23H23F2N5O/c1-14-16(12-28-15(2)29-14)11-26-13-23(17-4-3-5-18(24)8-17)10-20(23)22(31)30-21-9-19(25)6-7-27-21/h3-9,12,20,26H,10-11,13H2,1-2H3,(H,27,30,31)/t20-,23+/m0/s1
InChIKeyCDQLZVAEIZGBFA-NZQKXSOJSA-N
MW423.47 g/mol
LogP3.45
Rot. Bonds7

About cis-(1R,2S)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)-N-(4-fluoro-2-pyridinyl)cyclopropane-1-carboxamide

cis-(1R,2S)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)-N-(4-fluoro-2-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 67282729) has the molecular formula C23H23F2N5O and a molecular weight of 423.47 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)-N-(4-fluoro-2-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)-N-(4-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
PubChem CID67282729
Molecular FormulaC23H23F2N5O
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Namecis-(1R,2S)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)-N-(4-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ncc(CNC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2cc(F)ccn2)c(C)n1
InChIInChI=1S/C23H23F2N5O/c1-14-16(12-28-15(2)29-14)11-26-13-23(17-4-3-5-18(24)8-17)10-20(23)22(31)30-21-9-19(25)6-7-27-21/h3-9,12,20,26H,10-11,13H2,1-2H3,(H,27,30,31)/t20-,23+/m0/s1
InChIKeyCDQLZVAEIZGBFA-NZQKXSOJSA-N
XLogP3.45
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1R,2S)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)-N-(4-fluoro-2-pyridinyl)cyclopropane-1-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 cis-(1R,2S)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)-N-(4-fluoro-2-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)-N-(4-fluoro-2-pyridinyl)cyclopropane-1-carboxamide (CID 67282729) is cis-(1R,2S)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)-N-(4-fluoro-2-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)-N-(4-fluoro-2-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)-N-(4-fluoro-2-pyridinyl)cyclopropane-1-carboxamide is Cc1ncc(CNC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2cc(F)ccn2)c(C)n1.
What is the InChIKey of cis-(1R,2S)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)-N-(4-fluoro-2-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is CDQLZVAEIZGBFA-NZQKXSOJSA-N. The full InChI is InChI=1S/C23H23F2N5O/c1-14-16(12-28-15(2)29-14)11-26-13-23(17-4-3-5-18(24)8-17)10-20(23)22(31)30-21-9-19(25)6-7-27-21/h3-9,12,20,26H,10-11,13H2,1-2H3,(H,27,30,31)/t20-,23+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)-N-(4-fluoro-2-pyridinyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)-N-(4-fluoro-2-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)-N-(4-fluoro-2-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 67282729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).