2-(6-chloro-3-pyridinyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]acetamide

C26H18ClN5O — CID 59208256

IUPAC2-(6-chloro-3-pyridinyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]acetamide
SMILESO=C(Cc1ccc(Cl)nc1)NC1c2ccccc2-c2c(-c3nc4ccncc4[nH]3)cccc21
InChIInChI=1S/C26H18ClN5O/c27-22-9-8-15(13-29-22)12-23(33)32-25-17-5-2-1-4-16(17)24-18(25)6-3-7-19(24)26-30-20-10-11-28-14-21(20)31-26/h1-11,13-14,25H,12H2,(H,30,31)(H,32,33)
InChIKeyINAGZJJMPWFBAU-UHFFFAOYSA-N
MW451.92 g/mol
LogP5.10
Rot. Bonds4

About 2-(6-chloro-3-pyridinyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]acetamide

2-(6-chloro-3-pyridinyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]acetamide (PubChem CID 59208256) has the molecular formula C26H18ClN5O and a molecular weight of 451.92 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]acetamide
PubChem CID59208256
Molecular FormulaC26H18ClN5O
Molecular Weight451.92 g/mol
Exact Mass451.12
IUPAC Name2-(6-chloro-3-pyridinyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]acetamide
SMILESO=C(Cc1ccc(Cl)nc1)NC1c2ccccc2-c2c(-c3nc4ccncc4[nH]3)cccc21
InChIInChI=1S/C26H18ClN5O/c27-22-9-8-15(13-29-22)12-23(33)32-25-17-5-2-1-4-16(17)24-18(25)6-3-7-19(24)26-30-20-10-11-28-14-21(20)31-26/h1-11,13-14,25H,12H2,(H,30,31)(H,32,33)
InChIKeyINAGZJJMPWFBAU-UHFFFAOYSA-N
XLogP5.10
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.92
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]acetamide?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]acetamide (CID 59208256) is 2-(6-chloro-3-pyridinyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]acetamide.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]acetamide?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]acetamide is O=C(Cc1ccc(Cl)nc1)NC1c2ccccc2-c2c(-c3nc4ccncc4[nH]3)cccc21.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]acetamide?
The InChIKey is INAGZJJMPWFBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN5O/c27-22-9-8-15(13-29-22)12-23(33)32-25-17-5-2-1-4-16(17)24-18(25)6-3-7-19(24)26-30-20-10-11-28-14-21(20)31-26/h1-11,13-14,25H,12H2,(H,30,31)(H,32,33).
What are the key properties of 2-(6-chloro-3-pyridinyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]acetamide?
2-(6-chloro-3-pyridinyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]acetamide has a molecular weight of 451.92 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]acetamide is sourced from PubChem (CID 59208256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).