[4-[5-[5-(morpholin-4-ylmethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone

C26H26N4O3S — CID 122608545

IUPAC[4-[5-[5-(morpholin-4-ylmethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CC=C(c2c[nH]c3ncc(-c4coc(CN5CCOCC5)c4)cc23)CC1
InChIInChI=1S/C26H26N4O3S/c31-26(24-2-1-11-34-24)30-5-3-18(4-6-30)23-15-28-25-22(23)13-19(14-27-25)20-12-21(33-17-20)16-29-7-9-32-10-8-29/h1-3,11-15,17H,4-10,16H2,(H,27,28)
InChIKeyHTLUMKCPABTARM-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.65
Rot. Bonds5

About [4-[5-[5-(morpholin-4-ylmethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone

[4-[5-[5-(morpholin-4-ylmethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone (PubChem CID 122608545) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is [4-[5-[5-(morpholin-4-ylmethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[5-[5-(morpholin-4-ylmethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone
PubChem CID122608545
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC Name[4-[5-[5-(morpholin-4-ylmethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CC=C(c2c[nH]c3ncc(-c4coc(CN5CCOCC5)c4)cc23)CC1
InChIInChI=1S/C26H26N4O3S/c31-26(24-2-1-11-34-24)30-5-3-18(4-6-30)23-15-28-25-22(23)13-19(14-27-25)20-12-21(33-17-20)16-29-7-9-32-10-8-29/h1-3,11-15,17H,4-10,16H2,(H,27,28)
InChIKeyHTLUMKCPABTARM-UHFFFAOYSA-N
XLogP4.65
TPSA74.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[5-[5-(morpholin-4-ylmethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[5-(morpholin-4-ylmethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[5-[5-(morpholin-4-ylmethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone (CID 122608545) is [4-[5-[5-(morpholin-4-ylmethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[5-[5-(morpholin-4-ylmethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[5-[5-(morpholin-4-ylmethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CC=C(c2c[nH]c3ncc(-c4coc(CN5CCOCC5)c4)cc23)CC1.
What is the InChIKey of [4-[5-[5-(morpholin-4-ylmethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is HTLUMKCPABTARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c31-26(24-2-1-11-34-24)30-5-3-18(4-6-30)23-15-28-25-22(23)13-19(14-27-25)20-12-21(33-17-20)16-29-7-9-32-10-8-29/h1-3,11-15,17H,4-10,16H2,(H,27,28).
What are the key properties of [4-[5-[5-(morpholin-4-ylmethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone?
[4-[5-[5-(morpholin-4-ylmethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 474.59 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[5-(morpholin-4-ylmethyl)furan-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 122608545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).