2-fluoro-5-[[1-methyl-7-(1-morpholin-4-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol

C20H21FN4O2 — CID 89229974

IUPAC2-fluoro-5-[[1-methyl-7-(1-morpholin-4-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol
SMILESC=C(c1cnc(Nc2ccc(F)c(O)c2)c2ccn(C)c12)N1CCOCC1
InChIInChI=1S/C20H21FN4O2/c1-13(25-7-9-27-10-8-25)16-12-22-20(15-5-6-24(2)19(15)16)23-14-3-4-17(21)18(26)11-14/h3-6,11-12,26H,1,7-10H2,2H3,(H,22,23)
InChIKeyIXYWRXCCTFJKOF-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.46
Rot. Bonds4

About 2-fluoro-5-[[1-methyl-7-(1-morpholin-4-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol

2-fluoro-5-[[1-methyl-7-(1-morpholin-4-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol (PubChem CID 89229974) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-fluoro-5-[[1-methyl-7-(1-morpholin-4-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol.

Molecular Properties

Compound Name2-fluoro-5-[[1-methyl-7-(1-morpholin-4-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol
PubChem CID89229974
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name2-fluoro-5-[[1-methyl-7-(1-morpholin-4-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol
SMILESC=C(c1cnc(Nc2ccc(F)c(O)c2)c2ccn(C)c12)N1CCOCC1
InChIInChI=1S/C20H21FN4O2/c1-13(25-7-9-27-10-8-25)16-12-22-20(15-5-6-24(2)19(15)16)23-14-3-4-17(21)18(26)11-14/h3-6,11-12,26H,1,7-10H2,2H3,(H,22,23)
InChIKeyIXYWRXCCTFJKOF-UHFFFAOYSA-N
XLogP3.46
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[1-methyl-7-(1-morpholin-4-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol?
The IUPAC name of 2-fluoro-5-[[1-methyl-7-(1-morpholin-4-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol (CID 89229974) is 2-fluoro-5-[[1-methyl-7-(1-morpholin-4-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol.
What is the SMILES notation for 2-fluoro-5-[[1-methyl-7-(1-morpholin-4-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol?
The canonical SMILES for 2-fluoro-5-[[1-methyl-7-(1-morpholin-4-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol is C=C(c1cnc(Nc2ccc(F)c(O)c2)c2ccn(C)c12)N1CCOCC1.
What is the InChIKey of 2-fluoro-5-[[1-methyl-7-(1-morpholin-4-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol?
The InChIKey is IXYWRXCCTFJKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-13(25-7-9-27-10-8-25)16-12-22-20(15-5-6-24(2)19(15)16)23-14-3-4-17(21)18(26)11-14/h3-6,11-12,26H,1,7-10H2,2H3,(H,22,23).
What are the key properties of 2-fluoro-5-[[1-methyl-7-(1-morpholin-4-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol?
2-fluoro-5-[[1-methyl-7-(1-morpholin-4-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol has a molecular weight of 368.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[1-methyl-7-(1-morpholin-4-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol is sourced from PubChem (CID 89229974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).