3-[4-[4-(5-fluoro-2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-methylazetidine-1-carboxamide

C23H24FN5O2 — CID 139208181

IUPAC3-[4-[4-(5-fluoro-2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-methylazetidine-1-carboxamide
SMILESCNC(=O)N1CC(N2CC=C(c3cc4c(-c5cc(F)ccc5O)ccnc4[nH]3)CC2)C1
InChIInChI=1S/C23H24FN5O2/c1-25-23(31)29-12-16(13-29)28-8-5-14(6-9-28)20-11-19-17(4-7-26-22(19)27-20)18-10-15(24)2-3-21(18)30/h2-5,7,10-11,16,30H,6,8-9,12-13H2,1H3,(H,25,31)(H,26,27)
InChIKeyQZHZGNZNDOKZBV-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.19
Rot. Bonds3

About 3-[4-[4-(5-fluoro-2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-methylazetidine-1-carboxamide

3-[4-[4-(5-fluoro-2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-methylazetidine-1-carboxamide (PubChem CID 139208181) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 3-[4-[4-(5-fluoro-2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-methylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[4-[4-(5-fluoro-2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-methylazetidine-1-carboxamide
PubChem CID139208181
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name3-[4-[4-(5-fluoro-2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-methylazetidine-1-carboxamide
SMILESCNC(=O)N1CC(N2CC=C(c3cc4c(-c5cc(F)ccc5O)ccnc4[nH]3)CC2)C1
InChIInChI=1S/C23H24FN5O2/c1-25-23(31)29-12-16(13-29)28-8-5-14(6-9-28)20-11-19-17(4-7-26-22(19)27-20)18-10-15(24)2-3-21(18)30/h2-5,7,10-11,16,30H,6,8-9,12-13H2,1H3,(H,25,31)(H,26,27)
InChIKeyQZHZGNZNDOKZBV-UHFFFAOYSA-N
XLogP3.19
TPSA84.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(5-fluoro-2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-methylazetidine-1-carboxamide?
The IUPAC name of 3-[4-[4-(5-fluoro-2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-methylazetidine-1-carboxamide (CID 139208181) is 3-[4-[4-(5-fluoro-2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-methylazetidine-1-carboxamide.
What is the SMILES notation for 3-[4-[4-(5-fluoro-2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-methylazetidine-1-carboxamide?
The canonical SMILES for 3-[4-[4-(5-fluoro-2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-methylazetidine-1-carboxamide is CNC(=O)N1CC(N2CC=C(c3cc4c(-c5cc(F)ccc5O)ccnc4[nH]3)CC2)C1.
What is the InChIKey of 3-[4-[4-(5-fluoro-2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-methylazetidine-1-carboxamide?
The InChIKey is QZHZGNZNDOKZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-25-23(31)29-12-16(13-29)28-8-5-14(6-9-28)20-11-19-17(4-7-26-22(19)27-20)18-10-15(24)2-3-21(18)30/h2-5,7,10-11,16,30H,6,8-9,12-13H2,1H3,(H,25,31)(H,26,27).
What are the key properties of 3-[4-[4-(5-fluoro-2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-methylazetidine-1-carboxamide?
3-[4-[4-(5-fluoro-2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-methylazetidine-1-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 3.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(5-fluoro-2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-methylazetidine-1-carboxamide is sourced from PubChem (CID 139208181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).