2-amino-5-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]pyridine-3-carboxylic acid

C27H19N5O3 — CID 59334140

IUPAC2-amino-5-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]pyridine-3-carboxylic acid
SMILESNc1ncc(-c2cccc3c2-c2ccccc2C3NC(=O)c2ccnc3[nH]ccc23)cc1C(=O)O
InChIInChI=1S/C27H19N5O3/c28-24-21(27(34)35)12-14(13-31-24)15-6-3-7-20-22(15)16-4-1-2-5-17(16)23(20)32-26(33)19-9-11-30-25-18(19)8-10-29-25/h1-13,23H,(H2,28,31)(H,29,30)(H,32,33)(H,34,35)
InChIKeyGKGMZIAOHRJQDN-UHFFFAOYSA-N
MW461.48 g/mol
LogP4.41
Rot. Bonds4

About 2-amino-5-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]pyridine-3-carboxylic acid

2-amino-5-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]pyridine-3-carboxylic acid (PubChem CID 59334140) has the molecular formula C27H19N5O3 and a molecular weight of 461.48 g/mol. Its IUPAC name is 2-amino-5-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]pyridine-3-carboxylic acid
PubChem CID59334140
Molecular FormulaC27H19N5O3
Molecular Weight461.48 g/mol
Exact Mass461.15
IUPAC Name2-amino-5-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]pyridine-3-carboxylic acid
SMILESNc1ncc(-c2cccc3c2-c2ccccc2C3NC(=O)c2ccnc3[nH]ccc23)cc1C(=O)O
InChIInChI=1S/C27H19N5O3/c28-24-21(27(34)35)12-14(13-31-24)15-6-3-7-20-22(15)16-4-1-2-5-17(16)23(20)32-26(33)19-9-11-30-25-18(19)8-10-29-25/h1-13,23H,(H2,28,31)(H,29,30)(H,32,33)(H,34,35)
InChIKeyGKGMZIAOHRJQDN-UHFFFAOYSA-N
XLogP4.41
TPSA133.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 54.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-5-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]pyridine-3-carboxylic acid (CID 59334140) is 2-amino-5-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-5-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-5-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]pyridine-3-carboxylic acid is Nc1ncc(-c2cccc3c2-c2ccccc2C3NC(=O)c2ccnc3[nH]ccc23)cc1C(=O)O.
What is the InChIKey of 2-amino-5-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]pyridine-3-carboxylic acid?
The InChIKey is GKGMZIAOHRJQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N5O3/c28-24-21(27(34)35)12-14(13-31-24)15-6-3-7-20-22(15)16-4-1-2-5-17(16)23(20)32-26(33)19-9-11-30-25-18(19)8-10-29-25/h1-13,23H,(H2,28,31)(H,29,30)(H,32,33)(H,34,35).
What are the key properties of 2-amino-5-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]pyridine-3-carboxylic acid?
2-amino-5-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]pyridine-3-carboxylic acid has a molecular weight of 461.48 g/mol, XLogP of 4.41, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 59334140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).