[4-[2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone

C25H25N5O2S2 — CID 122602817

IUPAC[4-[2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CC=C(c2c[nH]c3ncc(-c4ccc(CN5CCOCC5)s4)nc23)CC1
InChIInChI=1S/C25H25N5O2S2/c31-25(22-2-1-13-33-22)30-7-5-17(6-8-30)19-14-26-24-23(19)28-20(15-27-24)21-4-3-18(34-21)16-29-9-11-32-12-10-29/h1-5,13-15H,6-12,16H2,(H,26,27)
InChIKeyZCITXQSRVUUEQS-UHFFFAOYSA-N
MW491.64 g/mol
LogP4.51
Rot. Bonds5

About [4-[2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone

[4-[2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone (PubChem CID 122602817) has the molecular formula C25H25N5O2S2 and a molecular weight of 491.64 g/mol. Its IUPAC name is [4-[2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone
PubChem CID122602817
Molecular FormulaC25H25N5O2S2
Molecular Weight491.64 g/mol
Exact Mass491.14
IUPAC Name[4-[2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CC=C(c2c[nH]c3ncc(-c4ccc(CN5CCOCC5)s4)nc23)CC1
InChIInChI=1S/C25H25N5O2S2/c31-25(22-2-1-13-33-22)30-7-5-17(6-8-30)19-14-26-24-23(19)28-20(15-27-24)21-4-3-18(34-21)16-29-9-11-32-12-10-29/h1-5,13-15H,6-12,16H2,(H,26,27)
InChIKeyZCITXQSRVUUEQS-UHFFFAOYSA-N
XLogP4.51
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazin-7-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-[2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone (CID 122602817) is [4-[2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CC=C(c2c[nH]c3ncc(-c4ccc(CN5CCOCC5)s4)nc23)CC1.
What is the InChIKey of [4-[2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is ZCITXQSRVUUEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2S2/c31-25(22-2-1-13-33-22)30-7-5-17(6-8-30)19-14-26-24-23(19)28-20(15-27-24)21-4-3-18(34-21)16-29-9-11-32-12-10-29/h1-5,13-15H,6-12,16H2,(H,26,27).
What are the key properties of [4-[2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone?
[4-[2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 491.64 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 122602817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).