N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-7-hydroxy-1H-indole-2-carboxamide

C20H23FN4O2 — CID 137385816

IUPACN-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-7-hydroxy-1H-indole-2-carboxamide
SMILESNCCC[C@H](N)CNC(=O)c1[nH]c2c(O)cccc2c1-c1ccc(F)cc1
InChIInChI=1S/C20H23FN4O2/c21-13-8-6-12(7-9-13)17-15-4-1-5-16(26)18(15)25-19(17)20(27)24-11-14(23)3-2-10-22/h1,4-9,14,25-26H,2-3,10-11,22-23H2,(H,24,27)/t14-/m0/s1
InChIKeyAPEMYBFTEPFRRS-AWEZNQCLSA-N
MW370.43 g/mol
LogP2.48
Rot. Bonds7

About N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-7-hydroxy-1H-indole-2-carboxamide

N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-7-hydroxy-1H-indole-2-carboxamide (PubChem CID 137385816) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-7-hydroxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-7-hydroxy-1H-indole-2-carboxamide
PubChem CID137385816
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC NameN-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-7-hydroxy-1H-indole-2-carboxamide
SMILESNCCC[C@H](N)CNC(=O)c1[nH]c2c(O)cccc2c1-c1ccc(F)cc1
InChIInChI=1S/C20H23FN4O2/c21-13-8-6-12(7-9-13)17-15-4-1-5-16(26)18(15)25-19(17)20(27)24-11-14(23)3-2-10-22/h1,4-9,14,25-26H,2-3,10-11,22-23H2,(H,24,27)/t14-/m0/s1
InChIKeyAPEMYBFTEPFRRS-AWEZNQCLSA-N
XLogP2.48
TPSA117.16 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-7-hydroxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-7-hydroxy-1H-indole-2-carboxamide (CID 137385816) is N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-7-hydroxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-7-hydroxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-7-hydroxy-1H-indole-2-carboxamide is NCCC[C@H](N)CNC(=O)c1[nH]c2c(O)cccc2c1-c1ccc(F)cc1.
What is the InChIKey of N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-7-hydroxy-1H-indole-2-carboxamide?
The InChIKey is APEMYBFTEPFRRS-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23FN4O2/c21-13-8-6-12(7-9-13)17-15-4-1-5-16(26)18(15)25-19(17)20(27)24-11-14(23)3-2-10-22/h1,4-9,14,25-26H,2-3,10-11,22-23H2,(H,24,27)/t14-/m0/s1.
What are the key properties of N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-7-hydroxy-1H-indole-2-carboxamide?
N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-7-hydroxy-1H-indole-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.48, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-7-hydroxy-1H-indole-2-carboxamide is sourced from PubChem (CID 137385816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).