4-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]carbamoyl]pyridine-2-carboxylic acid

C26H17N5O3 — CID 59208245

IUPAC4-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NC1c2ccccc2-c2c(-c3nc4ccncc4[nH]3)cccc21)c1ccnc(C(=O)O)c1
InChIInChI=1S/C26H17N5O3/c32-25(14-8-11-28-20(12-14)26(33)34)31-23-16-5-2-1-4-15(16)22-17(23)6-3-7-18(22)24-29-19-9-10-27-13-21(19)30-24/h1-13,23H,(H,29,30)(H,31,32)(H,33,34)
InChIKeyMJRKRTNLHSWTTA-UHFFFAOYSA-N
MW447.45 g/mol
LogP4.22
Rot. Bonds4

About 4-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]carbamoyl]pyridine-2-carboxylic acid

4-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 59208245) has the molecular formula C26H17N5O3 and a molecular weight of 447.45 g/mol. Its IUPAC name is 4-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID59208245
Molecular FormulaC26H17N5O3
Molecular Weight447.45 g/mol
Exact Mass447.13
IUPAC Name4-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NC1c2ccccc2-c2c(-c3nc4ccncc4[nH]3)cccc21)c1ccnc(C(=O)O)c1
InChIInChI=1S/C26H17N5O3/c32-25(14-8-11-28-20(12-14)26(33)34)31-23-16-5-2-1-4-15(16)22-17(23)6-3-7-18(22)24-29-19-9-10-27-13-21(19)30-24/h1-13,23H,(H,29,30)(H,31,32)(H,33,34)
InChIKeyMJRKRTNLHSWTTA-UHFFFAOYSA-N
XLogP4.22
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]carbamoyl]pyridine-2-carboxylic acid (CID 59208245) is 4-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]carbamoyl]pyridine-2-carboxylic acid is O=C(NC1c2ccccc2-c2c(-c3nc4ccncc4[nH]3)cccc21)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is MJRKRTNLHSWTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N5O3/c32-25(14-8-11-28-20(12-14)26(33)34)31-23-16-5-2-1-4-15(16)22-17(23)6-3-7-18(22)24-29-19-9-10-27-13-21(19)30-24/h1-13,23H,(H,29,30)(H,31,32)(H,33,34).
What are the key properties of 4-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]carbamoyl]pyridine-2-carboxylic acid?
4-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 447.45 g/mol, XLogP of 4.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 59208245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).