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

C23H19FN4O2S — CID 90420537

IUPAC[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)c4cscn4)CC3)cc12
InChIInChI=1S/C23H19FN4O2S/c1-30-21-3-2-15(24)10-17(21)16-4-7-25-22-18(16)11-19(27-22)14-5-8-28(9-6-14)23(29)20-12-31-13-26-20/h2-5,7,10-13H,6,8-9H2,1H3,(H,25,27)
InChIKeyTVAXVUJLRIGNDR-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.76
Rot. Bonds4

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

[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 90420537) has the molecular formula C23H19FN4O2S and a molecular weight of 434.50 g/mol. Its IUPAC name is [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID90420537
Molecular FormulaC23H19FN4O2S
Molecular Weight434.50 g/mol
Exact Mass434.12
IUPAC Name[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)c4cscn4)CC3)cc12
InChIInChI=1S/C23H19FN4O2S/c1-30-21-3-2-15(24)10-17(21)16-4-7-25-22-18(16)11-19(27-22)14-5-8-28(9-6-14)23(29)20-12-31-13-26-20/h2-5,7,10-13H,6,8-9H2,1H3,(H,25,27)
InChIKeyTVAXVUJLRIGNDR-UHFFFAOYSA-N
XLogP4.76
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 90420537) is [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-thiazol-4-yl)methanone is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)c4cscn4)CC3)cc12.
What is the InChIKey of [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is TVAXVUJLRIGNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2S/c1-30-21-3-2-15(24)10-17(21)16-4-7-25-22-18(16)11-19(27-22)14-5-8-28(9-6-14)23(29)20-12-31-13-26-20/h2-5,7,10-13H,6,8-9H2,1H3,(H,25,27).
What are the key properties of [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-thiazol-4-yl)methanone?
[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 434.50 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 90420537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).