5-[[[2-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methyl]-1-methylbenzimidazole-5-carbonyl]amino]methyl]pyridine-2-carboxylic acid

C26H25FN6O3 — CID 178019055

IUPAC5-[[[2-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methyl]-1-methylbenzimidazole-5-carbonyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCn1c(Cc2ccc(N3CCC(F)C3)nc2)nc2cc(C(=O)NCc3ccc(C(=O)O)nc3)ccc21
InChIInChI=1S/C26H25FN6O3/c1-32-22-6-4-18(25(34)30-14-17-2-5-20(26(35)36)28-13-17)11-21(22)31-24(32)10-16-3-7-23(29-12-16)33-9-8-19(27)15-33/h2-7,11-13,19H,8-10,14-15H2,1H3,(H,30,34)(H,35,36)
InChIKeyLDBPXKDHRNNQDU-UHFFFAOYSA-N
MW488.52 g/mol
LogP3.13
Rot. Bonds7

About 5-[[[2-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methyl]-1-methylbenzimidazole-5-carbonyl]amino]methyl]pyridine-2-carboxylic acid

5-[[[2-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methyl]-1-methylbenzimidazole-5-carbonyl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 178019055) has the molecular formula C26H25FN6O3 and a molecular weight of 488.52 g/mol. Its IUPAC name is 5-[[[2-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methyl]-1-methylbenzimidazole-5-carbonyl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methyl]-1-methylbenzimidazole-5-carbonyl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID178019055
Molecular FormulaC26H25FN6O3
Molecular Weight488.52 g/mol
Exact Mass488.20
IUPAC Name5-[[[2-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methyl]-1-methylbenzimidazole-5-carbonyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCn1c(Cc2ccc(N3CCC(F)C3)nc2)nc2cc(C(=O)NCc3ccc(C(=O)O)nc3)ccc21
InChIInChI=1S/C26H25FN6O3/c1-32-22-6-4-18(25(34)30-14-17-2-5-20(26(35)36)28-13-17)11-21(22)31-24(32)10-16-3-7-23(29-12-16)33-9-8-19(27)15-33/h2-7,11-13,19H,8-10,14-15H2,1H3,(H,30,34)(H,35,36)
InChIKeyLDBPXKDHRNNQDU-UHFFFAOYSA-N
XLogP3.13
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[[2-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methyl]-1-methylbenzimidazole-5-carbonyl]amino]methyl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

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CID 44293817
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CID 155511757
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CID 155515727
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Frequently Asked Questions

What is the IUPAC name of 5-[[[2-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methyl]-1-methylbenzimidazole-5-carbonyl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[[2-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methyl]-1-methylbenzimidazole-5-carbonyl]amino]methyl]pyridine-2-carboxylic acid (CID 178019055) is 5-[[[2-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methyl]-1-methylbenzimidazole-5-carbonyl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methyl]-1-methylbenzimidazole-5-carbonyl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[[2-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methyl]-1-methylbenzimidazole-5-carbonyl]amino]methyl]pyridine-2-carboxylic acid is Cn1c(Cc2ccc(N3CCC(F)C3)nc2)nc2cc(C(=O)NCc3ccc(C(=O)O)nc3)ccc21.
What is the InChIKey of 5-[[[2-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methyl]-1-methylbenzimidazole-5-carbonyl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is LDBPXKDHRNNQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O3/c1-32-22-6-4-18(25(34)30-14-17-2-5-20(26(35)36)28-13-17)11-21(22)31-24(32)10-16-3-7-23(29-12-16)33-9-8-19(27)15-33/h2-7,11-13,19H,8-10,14-15H2,1H3,(H,30,34)(H,35,36).
What are the key properties of 5-[[[2-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methyl]-1-methylbenzimidazole-5-carbonyl]amino]methyl]pyridine-2-carboxylic acid?
5-[[[2-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methyl]-1-methylbenzimidazole-5-carbonyl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 488.52 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methyl]-1-methylbenzimidazole-5-carbonyl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 178019055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).