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

C25H29FN4O4S — CID 90420591

IUPAC4-[2-[[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]morpholine
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(S(=O)(=O)CCN4CCOCC4)CC3)cc12
InChIInChI=1S/C25H29FN4O4S/c1-33-24-3-2-19(26)16-21(24)20-4-7-27-25-22(20)17-23(28-25)18-5-8-30(9-6-18)35(31,32)15-12-29-10-13-34-14-11-29/h2-5,7,16-17H,6,8-15H2,1H3,(H,27,28)
InChIKeyVCPRPKASMPDNQA-UHFFFAOYSA-N
MW500.60 g/mol
LogP3.13
Rot. Bonds7

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

4-[2-[[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]morpholine (PubChem CID 90420591) has the molecular formula C25H29FN4O4S and a molecular weight of 500.60 g/mol. Its IUPAC name is 4-[2-[[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]morpholine
PubChem CID90420591
Molecular FormulaC25H29FN4O4S
Molecular Weight500.60 g/mol
Exact Mass500.19
IUPAC Name4-[2-[[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]morpholine
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(S(=O)(=O)CCN4CCOCC4)CC3)cc12
InChIInChI=1S/C25H29FN4O4S/c1-33-24-3-2-19(26)16-21(24)20-4-7-27-25-22(20)17-23(28-25)18-5-8-30(9-6-18)35(31,32)15-12-29-10-13-34-14-11-29/h2-5,7,16-17H,6,8-15H2,1H3,(H,27,28)
InChIKeyVCPRPKASMPDNQA-UHFFFAOYSA-N
XLogP3.13
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]morpholine?
The IUPAC name of 4-[2-[[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]morpholine (CID 90420591) is 4-[2-[[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]morpholine is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(S(=O)(=O)CCN4CCOCC4)CC3)cc12.
What is the InChIKey of 4-[2-[[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]morpholine?
The InChIKey is VCPRPKASMPDNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O4S/c1-33-24-3-2-19(26)16-21(24)20-4-7-27-25-22(20)17-23(28-25)18-5-8-30(9-6-18)35(31,32)15-12-29-10-13-34-14-11-29/h2-5,7,16-17H,6,8-15H2,1H3,(H,27,28).
What are the key properties of 4-[2-[[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]morpholine?
4-[2-[[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]morpholine has a molecular weight of 500.60 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethyl]morpholine is sourced from PubChem (CID 90420591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).