N-[4-[6-acetyl-3-(4-fluoroanilino)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide

C22H20FN5O3 — CID 129246571

IUPACN-[4-[6-acetyl-3-(4-fluoroanilino)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2[nH]c3c(c2Nc2ccc(F)cc2)C(=O)CN(C(C)=O)C3)ccn1
InChIInChI=1S/C22H20FN5O3/c1-12(29)25-19-9-14(7-8-24-19)21-22(26-16-5-3-15(23)4-6-16)20-17(27-21)10-28(13(2)30)11-18(20)31/h3-9,26-27H,10-11H2,1-2H3,(H,24,25,29)
InChIKeyDTDUDHPUYIEUPZ-UHFFFAOYSA-N
MW421.43 g/mol
LogP3.46
Rot. Bonds4

About N-[4-[6-acetyl-3-(4-fluoroanilino)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide

N-[4-[6-acetyl-3-(4-fluoroanilino)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 129246571) has the molecular formula C22H20FN5O3 and a molecular weight of 421.43 g/mol. Its IUPAC name is N-[4-[6-acetyl-3-(4-fluoroanilino)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-acetyl-3-(4-fluoroanilino)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide
PubChem CID129246571
Molecular FormulaC22H20FN5O3
Molecular Weight421.43 g/mol
Exact Mass421.16
IUPAC NameN-[4-[6-acetyl-3-(4-fluoroanilino)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2[nH]c3c(c2Nc2ccc(F)cc2)C(=O)CN(C(C)=O)C3)ccn1
InChIInChI=1S/C22H20FN5O3/c1-12(29)25-19-9-14(7-8-24-19)21-22(26-16-5-3-15(23)4-6-16)20-17(27-21)10-28(13(2)30)11-18(20)31/h3-9,26-27H,10-11H2,1-2H3,(H,24,25,29)
InChIKeyDTDUDHPUYIEUPZ-UHFFFAOYSA-N
XLogP3.46
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoroethyl 2-(2-acetamido-4-pyridinyl)-3-anilino-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate
CID 129246461
2-(2-acetamido-4-pyridinyl)-3-anilino-N-methyl-4-oxo-N-propyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxamide
CID 129246434
N-[4-[6-[(Z)-3-amino-2-sulfanylprop-2-enoyl]-3-anilino-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide
CID 129272989
N-[4-[3-(4-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 118607032
N-[4-[3-anilino-6-(2,2-dimethylpropanoyl)-4-imino-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide
CID 137240942
N-[4-[(4aR,5aR)-3-anilino-5a-methyl-4-oxo-1,4a,5,6-tetrahydrocyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide
CID 126520358
N-[4-[3-anilino-6-(hydroxymethyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide;ethane;formaldehyde
CID 145208929
N-[4-[3-anilino-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]-4-fluoro-3-methoxybenzamide
CID 129246686
[4-[3-(3-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]carbamic acid
CID 118607107
N-[4-[(5S,5aS)-3-anilino-5,5a-dimethyl-4-oxo-1,4a,5,6-tetrahydrocyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide
CID 135303014
N-[4-[3-anilino-6-(4-hydroxybutyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide
CID 146516114
N-[4-(3-anilino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 154674495

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-acetyl-3-(4-fluoroanilino)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-acetyl-3-(4-fluoroanilino)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide (CID 129246571) is N-[4-[6-acetyl-3-(4-fluoroanilino)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-acetyl-3-(4-fluoroanilino)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-acetyl-3-(4-fluoroanilino)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2[nH]c3c(c2Nc2ccc(F)cc2)C(=O)CN(C(C)=O)C3)ccn1.
What is the InChIKey of N-[4-[6-acetyl-3-(4-fluoroanilino)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide?
The InChIKey is DTDUDHPUYIEUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O3/c1-12(29)25-19-9-14(7-8-24-19)21-22(26-16-5-3-15(23)4-6-16)20-17(27-21)10-28(13(2)30)11-18(20)31/h3-9,26-27H,10-11H2,1-2H3,(H,24,25,29).
What are the key properties of N-[4-[6-acetyl-3-(4-fluoroanilino)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide?
N-[4-[6-acetyl-3-(4-fluoroanilino)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 421.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-acetyl-3-(4-fluoroanilino)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 129246571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).