6-(4-fluorophenyl)-N-methyl-N-[(3S,5S)-5-(methylcarbamoyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydron;chloride

C22H24ClFN4O2 — CID 135323909

IUPAC6-(4-fluorophenyl)-N-methyl-N-[(3S,5S)-5-(methylcarbamoyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydron;chloride
SMILESCNC(=O)[C@@H]1C[C@H](N(C)C(=O)c2cc3ccc(-c4ccc(F)cc4)cc3[nH]2)CN1.[Cl-].[H+]
InChIInChI=1S/C22H23FN4O2.ClH/c1-24-21(28)19-11-17(12-25-19)27(2)22(29)20-10-15-4-3-14(9-18(15)26-20)13-5-7-16(23)8-6-13;/h3-10,17,19,25-26H,11-12H2,1-2H3,(H,24,28);1H/t17-,19-;/m0./s1
InChIKeyFVLWGERMDDWTED-QQTWVUFVSA-N
MW430.91 g/mol
LogP-0.36
Rot. Bonds4

About 6-(4-fluorophenyl)-N-methyl-N-[(3S,5S)-5-(methylcarbamoyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydron;chloride

6-(4-fluorophenyl)-N-methyl-N-[(3S,5S)-5-(methylcarbamoyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydron;chloride (PubChem CID 135323909) has the molecular formula C22H24ClFN4O2 and a molecular weight of 430.91 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-methyl-N-[(3S,5S)-5-(methylcarbamoyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydron;chloride.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-methyl-N-[(3S,5S)-5-(methylcarbamoyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydron;chloride
PubChem CID135323909
Molecular FormulaC22H24ClFN4O2
Molecular Weight430.91 g/mol
Exact Mass430.16
IUPAC Name6-(4-fluorophenyl)-N-methyl-N-[(3S,5S)-5-(methylcarbamoyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydron;chloride
SMILESCNC(=O)[C@@H]1C[C@H](N(C)C(=O)c2cc3ccc(-c4ccc(F)cc4)cc3[nH]2)CN1.[Cl-].[H+]
InChIInChI=1S/C22H23FN4O2.ClH/c1-24-21(28)19-11-17(12-25-19)27(2)22(29)20-10-15-4-3-14(9-18(15)26-20)13-5-7-16(23)8-6-13;/h3-10,17,19,25-26H,11-12H2,1-2H3,(H,24,28);1H/t17-,19-;/m0./s1
InChIKeyFVLWGERMDDWTED-QQTWVUFVSA-N
XLogP-0.36
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-methyl-N-[(3S,5S)-5-(methylcarbamoyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydron;chloride?
The IUPAC name of 6-(4-fluorophenyl)-N-methyl-N-[(3S,5S)-5-(methylcarbamoyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydron;chloride (CID 135323909) is 6-(4-fluorophenyl)-N-methyl-N-[(3S,5S)-5-(methylcarbamoyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydron;chloride.
What is the SMILES notation for 6-(4-fluorophenyl)-N-methyl-N-[(3S,5S)-5-(methylcarbamoyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydron;chloride?
The canonical SMILES for 6-(4-fluorophenyl)-N-methyl-N-[(3S,5S)-5-(methylcarbamoyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydron;chloride is CNC(=O)[C@@H]1C[C@H](N(C)C(=O)c2cc3ccc(-c4ccc(F)cc4)cc3[nH]2)CN1.[Cl-].[H+].
What is the InChIKey of 6-(4-fluorophenyl)-N-methyl-N-[(3S,5S)-5-(methylcarbamoyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydron;chloride?
The InChIKey is FVLWGERMDDWTED-QQTWVUFVSA-N. The full InChI is InChI=1S/C22H23FN4O2.ClH/c1-24-21(28)19-11-17(12-25-19)27(2)22(29)20-10-15-4-3-14(9-18(15)26-20)13-5-7-16(23)8-6-13;/h3-10,17,19,25-26H,11-12H2,1-2H3,(H,24,28);1H/t17-,19-;/m0./s1.
What are the key properties of 6-(4-fluorophenyl)-N-methyl-N-[(3S,5S)-5-(methylcarbamoyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydron;chloride?
6-(4-fluorophenyl)-N-methyl-N-[(3S,5S)-5-(methylcarbamoyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydron;chloride has a molecular weight of 430.91 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-methyl-N-[(3S,5S)-5-(methylcarbamoyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydron;chloride is sourced from PubChem (CID 135323909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).