N-[4-(5-chloro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)acetamide

C25H17ClFN5O — CID 162687680

IUPACN-[4-(5-chloro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cc(-c2[nH]c3ccc(Cl)nc3c2-c2ccccn2)ccn1
InChIInChI=1S/C25H17ClFN5O/c26-20-9-8-19-25(31-20)23(18-3-1-2-11-28-18)24(30-19)16-10-12-29-21(14-16)32-22(33)13-15-4-6-17(27)7-5-15/h1-12,14,30H,13H2,(H,29,32,33)
InChIKeyKTTODKFIHICJMH-UHFFFAOYSA-N
MW457.90 g/mol
LogP5.66
Rot. Bonds5

About N-[4-(5-chloro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)acetamide

N-[4-(5-chloro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)acetamide (PubChem CID 162687680) has the molecular formula C25H17ClFN5O and a molecular weight of 457.90 g/mol. Its IUPAC name is N-[4-(5-chloro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(5-chloro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)acetamide
PubChem CID162687680
Molecular FormulaC25H17ClFN5O
Molecular Weight457.90 g/mol
Exact Mass457.11
IUPAC NameN-[4-(5-chloro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cc(-c2[nH]c3ccc(Cl)nc3c2-c2ccccn2)ccn1
InChIInChI=1S/C25H17ClFN5O/c26-20-9-8-19-25(31-20)23(18-3-1-2-11-28-18)24(30-19)16-10-12-29-21(14-16)32-22(33)13-15-4-6-17(27)7-5-15/h1-12,14,30H,13H2,(H,29,32,33)
InChIKeyKTTODKFIHICJMH-UHFFFAOYSA-N
XLogP5.66
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.90
LogP ≤ 55.66
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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Related Compounds

N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
CID 67387753
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CID 46927364
US9738640, Example 1
CID 90479835
N-[4-[3-[6-(difluoromethyl)pyridin-2-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl]acetamide
CID 121412063
N-(4-chlorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide
CID 142580560
(2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone
CID 155739023
(2R)-1-[1-(3-chlorophenyl)cyclopentanecarbonyl]-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)pyrrolidine-2-carboxamide
CID 168298101
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CID 9947817
4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide
CID 10020895
7,9-Dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-one
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4-Fluoro-N-[3-(1-isopropyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[4-(5-chloro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)acetamide (CID 162687680) is N-[4-(5-chloro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-(5-chloro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[4-(5-chloro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1cc(-c2[nH]c3ccc(Cl)nc3c2-c2ccccn2)ccn1.
What is the InChIKey of N-[4-(5-chloro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is KTTODKFIHICJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClFN5O/c26-20-9-8-19-25(31-20)23(18-3-1-2-11-28-18)24(30-19)16-10-12-29-21(14-16)32-22(33)13-15-4-6-17(27)7-5-15/h1-12,14,30H,13H2,(H,29,32,33).
What are the key properties of N-[4-(5-chloro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)acetamide?
N-[4-(5-chloro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 457.90 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 162687680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).