2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide

C20H14ClFN4O2 — CID 130382750

IUPAC2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(C(O)c2c[nH]c3ncccc23)c(F)n1)c1ccccc1Cl
InChIInChI=1S/C20H14ClFN4O2/c21-15-6-2-1-4-12(15)20(28)26-16-8-7-13(18(22)25-16)17(27)14-10-24-19-11(14)5-3-9-23-19/h1-10,17,27H,(H,23,24)(H,25,26,28)
InChIKeyUHLNZPFENPDGRC-UHFFFAOYSA-N
MW396.81 g/mol
LogP4.08
Rot. Bonds4

About 2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide

2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide (PubChem CID 130382750) has the molecular formula C20H14ClFN4O2 and a molecular weight of 396.81 g/mol. Its IUPAC name is 2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide
PubChem CID130382750
Molecular FormulaC20H14ClFN4O2
Molecular Weight396.81 g/mol
Exact Mass396.08
IUPAC Name2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(C(O)c2c[nH]c3ncccc23)c(F)n1)c1ccccc1Cl
InChIInChI=1S/C20H14ClFN4O2/c21-15-6-2-1-4-12(15)20(28)26-16-8-7-13(18(22)25-16)17(27)14-10-24-19-11(14)5-3-9-23-19/h1-10,17,27H,(H,23,24)(H,25,26,28)
InChIKeyUHLNZPFENPDGRC-UHFFFAOYSA-N
XLogP4.08
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339358
2-chloro-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
CID 110472978
3-[(4-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 170418991
4-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-2-one
CID 11594145
(2-chloro-3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 81453922
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
(2-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506825
2-chloro-N-(5,7-dichloroquinolin-8-yl)benzamide
CID 122229021
2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 55341798
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butane-1,2,4-triol
CID 171872464

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide?
The IUPAC name of 2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide (CID 130382750) is 2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide is O=C(Nc1ccc(C(O)c2c[nH]c3ncccc23)c(F)n1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide?
The InChIKey is UHLNZPFENPDGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O2/c21-15-6-2-1-4-12(15)20(28)26-16-8-7-13(18(22)25-16)17(27)14-10-24-19-11(14)5-3-9-23-19/h1-10,17,27H,(H,23,24)(H,25,26,28).
What are the key properties of 2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide?
2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide has a molecular weight of 396.81 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 130382750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).