4-[[5-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C21H16ClFN4O2 — CID 153392216

IUPAC4-[[5-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2c(Nc3cc(-c4cc(Cl)ccc4F)c(=O)[nH]c3C3CC3)ccnc2N1
InChIInChI=1S/C21H16ClFN4O2/c22-11-3-4-15(23)12(7-11)13-8-17(19(10-1-2-10)27-21(13)29)25-16-5-6-24-20-14(16)9-18(28)26-20/h3-8,10H,1-2,9H2,(H,27,29)(H2,24,25,26,28)
InChIKeyRFOGBOXILRSGFZ-UHFFFAOYSA-N
MW410.84 g/mol
LogP4.34
Rot. Bonds4

About 4-[[5-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

4-[[5-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 153392216) has the molecular formula C21H16ClFN4O2 and a molecular weight of 410.84 g/mol. Its IUPAC name is 4-[[5-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name4-[[5-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID153392216
Molecular FormulaC21H16ClFN4O2
Molecular Weight410.84 g/mol
Exact Mass410.09
IUPAC Name4-[[5-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2c(Nc3cc(-c4cc(Cl)ccc4F)c(=O)[nH]c3C3CC3)ccnc2N1
InChIInChI=1S/C21H16ClFN4O2/c22-11-3-4-15(23)12(7-11)13-8-17(19(10-1-2-10)27-21(13)29)25-16-5-6-24-20-14(16)9-18(28)26-20/h3-8,10H,1-2,9H2,(H,27,29)(H2,24,25,26,28)
InChIKeyRFOGBOXILRSGFZ-UHFFFAOYSA-N
XLogP4.34
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.84
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 4-[[5-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 153392216) is 4-[[5-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 4-[[5-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 4-[[5-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is O=C1Cc2c(Nc3cc(-c4cc(Cl)ccc4F)c(=O)[nH]c3C3CC3)ccnc2N1.
What is the InChIKey of 4-[[5-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is RFOGBOXILRSGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O2/c22-11-3-4-15(23)12(7-11)13-8-17(19(10-1-2-10)27-21(13)29)25-16-5-6-24-20-14(16)9-18(28)26-20/h3-8,10H,1-2,9H2,(H,27,29)(H2,24,25,26,28).
What are the key properties of 4-[[5-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
4-[[5-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 410.84 g/mol, XLogP of 4.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 153392216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).