2,4-difluoro-6-[[2-[(6-methoxy-1,2,3,4-tetrahydroquinolin-7-yl)amino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]benzamide

C24H22F2N6O2 — CID 68794005

IUPAC2,4-difluoro-6-[[2-[(6-methoxy-1,2,3,4-tetrahydroquinolin-7-yl)amino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]benzamide
SMILESCOc1cc2c(cc1Nc1cc3c(Nc4cc(F)cc(F)c4C(N)=O)cncc3[nH]1)NCCC2
InChIInChI=1S/C24H22F2N6O2/c1-34-21-5-12-3-2-4-29-16(12)9-17(21)31-22-8-14-19(10-28-11-20(14)32-22)30-18-7-13(25)6-15(26)23(18)24(27)33/h5-11,29-32H,2-4H2,1H3,(H2,27,33)
InChIKeyPRAJHWKTSIWGAK-UHFFFAOYSA-N
MW464.48 g/mol
LogP4.79
Rot. Bonds6

About 2,4-difluoro-6-[[2-[(6-methoxy-1,2,3,4-tetrahydroquinolin-7-yl)amino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]benzamide

2,4-difluoro-6-[[2-[(6-methoxy-1,2,3,4-tetrahydroquinolin-7-yl)amino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]benzamide (PubChem CID 68794005) has the molecular formula C24H22F2N6O2 and a molecular weight of 464.48 g/mol. Its IUPAC name is 2,4-difluoro-6-[[2-[(6-methoxy-1,2,3,4-tetrahydroquinolin-7-yl)amino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]benzamide.

Molecular Properties

Compound Name2,4-difluoro-6-[[2-[(6-methoxy-1,2,3,4-tetrahydroquinolin-7-yl)amino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]benzamide
PubChem CID68794005
Molecular FormulaC24H22F2N6O2
Molecular Weight464.48 g/mol
Exact Mass464.18
IUPAC Name2,4-difluoro-6-[[2-[(6-methoxy-1,2,3,4-tetrahydroquinolin-7-yl)amino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]benzamide
SMILESCOc1cc2c(cc1Nc1cc3c(Nc4cc(F)cc(F)c4C(N)=O)cncc3[nH]1)NCCC2
InChIInChI=1S/C24H22F2N6O2/c1-34-21-5-12-3-2-4-29-16(12)9-17(21)31-22-8-14-19(10-28-11-20(14)32-22)30-18-7-13(25)6-15(26)23(18)24(27)33/h5-11,29-32H,2-4H2,1H3,(H2,27,33)
InChIKeyPRAJHWKTSIWGAK-UHFFFAOYSA-N
XLogP4.79
TPSA117.09 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 54.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-[[2-[(6-methoxy-1,2,3,4-tetrahydroquinolin-7-yl)amino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]benzamide?
The IUPAC name of 2,4-difluoro-6-[[2-[(6-methoxy-1,2,3,4-tetrahydroquinolin-7-yl)amino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]benzamide (CID 68794005) is 2,4-difluoro-6-[[2-[(6-methoxy-1,2,3,4-tetrahydroquinolin-7-yl)amino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]benzamide.
What is the SMILES notation for 2,4-difluoro-6-[[2-[(6-methoxy-1,2,3,4-tetrahydroquinolin-7-yl)amino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]benzamide?
The canonical SMILES for 2,4-difluoro-6-[[2-[(6-methoxy-1,2,3,4-tetrahydroquinolin-7-yl)amino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]benzamide is COc1cc2c(cc1Nc1cc3c(Nc4cc(F)cc(F)c4C(N)=O)cncc3[nH]1)NCCC2.
What is the InChIKey of 2,4-difluoro-6-[[2-[(6-methoxy-1,2,3,4-tetrahydroquinolin-7-yl)amino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]benzamide?
The InChIKey is PRAJHWKTSIWGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O2/c1-34-21-5-12-3-2-4-29-16(12)9-17(21)31-22-8-14-19(10-28-11-20(14)32-22)30-18-7-13(25)6-15(26)23(18)24(27)33/h5-11,29-32H,2-4H2,1H3,(H2,27,33).
What are the key properties of 2,4-difluoro-6-[[2-[(6-methoxy-1,2,3,4-tetrahydroquinolin-7-yl)amino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]benzamide?
2,4-difluoro-6-[[2-[(6-methoxy-1,2,3,4-tetrahydroquinolin-7-yl)amino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]benzamide has a molecular weight of 464.48 g/mol, XLogP of 4.79, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-[[2-[(6-methoxy-1,2,3,4-tetrahydroquinolin-7-yl)amino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]benzamide is sourced from PubChem (CID 68794005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).