2-(hydroxymethyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide

C26H19N5O2 — CID 11978917

IUPAC2-(hydroxymethyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide
SMILESO=C(NC1c2ccccc2-c2c(-c3nc4ccncc4[nH]3)cccc21)c1ccnc(CO)c1
InChIInChI=1S/C26H19N5O2/c32-14-16-12-15(8-11-28-16)26(33)31-24-18-5-2-1-4-17(18)23-19(24)6-3-7-20(23)25-29-21-9-10-27-13-22(21)30-25/h1-13,24,32H,14H2,(H,29,30)(H,31,33)
InChIKeyJMZQPWKINQAXRF-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.01
Rot. Bonds4

About 2-(hydroxymethyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide

2-(hydroxymethyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide (PubChem CID 11978917) has the molecular formula C26H19N5O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide
PubChem CID11978917
Molecular FormulaC26H19N5O2
Molecular Weight433.47 g/mol
Exact Mass433.15
IUPAC Name2-(hydroxymethyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide
SMILESO=C(NC1c2ccccc2-c2c(-c3nc4ccncc4[nH]3)cccc21)c1ccnc(CO)c1
InChIInChI=1S/C26H19N5O2/c32-14-16-12-15(8-11-28-16)26(33)31-24-18-5-2-1-4-17(18)23-19(24)6-3-7-20(23)25-29-21-9-10-27-13-22(21)30-25/h1-13,24,32H,14H2,(H,29,30)(H,31,33)
InChIKeyJMZQPWKINQAXRF-UHFFFAOYSA-N
XLogP4.01
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide (CID 11978917) is 2-(hydroxymethyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide is O=C(NC1c2ccccc2-c2c(-c3nc4ccncc4[nH]3)cccc21)c1ccnc(CO)c1.
What is the InChIKey of 2-(hydroxymethyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide?
The InChIKey is JMZQPWKINQAXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O2/c32-14-16-12-15(8-11-28-16)26(33)31-24-18-5-2-1-4-17(18)23-19(24)6-3-7-20(23)25-29-21-9-10-27-13-22(21)30-25/h1-13,24,32H,14H2,(H,29,30)(H,31,33).
What are the key properties of 2-(hydroxymethyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide?
2-(hydroxymethyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide is sourced from PubChem (CID 11978917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).