4,4-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide

C23H24F2N4O2 — CID 72703693

IUPAC4,4-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide
SMILESO=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)C1CCC(F)(F)CC1
InChIInChI=1S/C23H24F2N4O2/c24-23(25)9-5-15(6-10-23)21(30)29-20(22(31)28-17-7-11-26-12-8-17)13-16-14-27-19-4-2-1-3-18(16)19/h1-4,7-8,11-12,14-15,20,27H,5-6,9-10,13H2,(H,29,30)(H,26,28,31)/t20-/m0/s1
InChIKeyOYULSCHOGQEOGI-FQEVSTJZSA-N
MW426.47 g/mol
LogP4.05
Rot. Bonds6

About 4,4-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide

4,4-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide (PubChem CID 72703693) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is 4,4-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide
PubChem CID72703693
Molecular FormulaC23H24F2N4O2
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name4,4-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide
SMILESO=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)C1CCC(F)(F)CC1
InChIInChI=1S/C23H24F2N4O2/c24-23(25)9-5-15(6-10-23)21(30)29-20(22(31)28-17-7-11-26-12-8-17)13-16-14-27-19-4-2-1-3-18(16)19/h1-4,7-8,11-12,14-15,20,27H,5-6,9-10,13H2,(H,29,30)(H,26,28,31)/t20-/m0/s1
InChIKeyOYULSCHOGQEOGI-FQEVSTJZSA-N
XLogP4.05
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide (CID 72703693) is 4,4-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide is O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is OYULSCHOGQEOGI-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c24-23(25)9-5-15(6-10-23)21(30)29-20(22(31)28-17-7-11-26-12-8-17)13-16-14-27-19-4-2-1-3-18(16)19/h1-4,7-8,11-12,14-15,20,27H,5-6,9-10,13H2,(H,29,30)(H,26,28,31)/t20-/m0/s1.
What are the key properties of 4,4-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide?
4,4-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 72703693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).