2-[1-(2,3-dihydroxypropyl)-3,6-dihydro-2H-pyridin-4-yl]-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C23H25FN4O4 — CID 90420352

IUPAC2-[1-(2,3-dihydroxypropyl)-3,6-dihydro-2H-pyridin-4-yl]-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(O)CO)CC3)c(C(N)=O)c12
InChIInChI=1S/C23H25FN4O4/c1-32-18-3-2-14(24)10-17(18)16-4-7-26-23-19(16)20(22(25)31)21(27-23)13-5-8-28(9-6-13)11-15(30)12-29/h2-5,7,10,15,29-30H,6,8-9,11-12H2,1H3,(H2,25,31)(H,26,27)
InChIKeyMIDXVSMXDLTNFL-UHFFFAOYSA-N
MW440.48 g/mol
LogP1.92
Rot. Bonds7

About 2-[1-(2,3-dihydroxypropyl)-3,6-dihydro-2H-pyridin-4-yl]-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

2-[1-(2,3-dihydroxypropyl)-3,6-dihydro-2H-pyridin-4-yl]-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 90420352) has the molecular formula C23H25FN4O4 and a molecular weight of 440.48 g/mol. Its IUPAC name is 2-[1-(2,3-dihydroxypropyl)-3,6-dihydro-2H-pyridin-4-yl]-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(2,3-dihydroxypropyl)-3,6-dihydro-2H-pyridin-4-yl]-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID90420352
Molecular FormulaC23H25FN4O4
Molecular Weight440.48 g/mol
Exact Mass440.19
IUPAC Name2-[1-(2,3-dihydroxypropyl)-3,6-dihydro-2H-pyridin-4-yl]-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(O)CO)CC3)c(C(N)=O)c12
InChIInChI=1S/C23H25FN4O4/c1-32-18-3-2-14(24)10-17(18)16-4-7-26-23-19(16)20(22(25)31)21(27-23)13-5-8-28(9-6-13)11-15(30)12-29/h2-5,7,10,15,29-30H,6,8-9,11-12H2,1H3,(H2,25,31)(H,26,27)
InChIKeyMIDXVSMXDLTNFL-UHFFFAOYSA-N
XLogP1.92
TPSA124.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[1-(2,3-dihydroxypropyl)-3,6-dihydro-2H-pyridin-4-yl]-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydroxypropyl)-3,6-dihydro-2H-pyridin-4-yl]-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-[1-(2,3-dihydroxypropyl)-3,6-dihydro-2H-pyridin-4-yl]-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 90420352) is 2-[1-(2,3-dihydroxypropyl)-3,6-dihydro-2H-pyridin-4-yl]-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(2,3-dihydroxypropyl)-3,6-dihydro-2H-pyridin-4-yl]-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-[1-(2,3-dihydroxypropyl)-3,6-dihydro-2H-pyridin-4-yl]-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(O)CO)CC3)c(C(N)=O)c12.
What is the InChIKey of 2-[1-(2,3-dihydroxypropyl)-3,6-dihydro-2H-pyridin-4-yl]-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is MIDXVSMXDLTNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4/c1-32-18-3-2-14(24)10-17(18)16-4-7-26-23-19(16)20(22(25)31)21(27-23)13-5-8-28(9-6-13)11-15(30)12-29/h2-5,7,10,15,29-30H,6,8-9,11-12H2,1H3,(H2,25,31)(H,26,27).
What are the key properties of 2-[1-(2,3-dihydroxypropyl)-3,6-dihydro-2H-pyridin-4-yl]-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
2-[1-(2,3-dihydroxypropyl)-3,6-dihydro-2H-pyridin-4-yl]-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 1.92, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydroxypropyl)-3,6-dihydro-2H-pyridin-4-yl]-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 90420352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).