5-(2,6-difluoro-4-morpholin-4-ylphenyl)-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide

C25H27F2N5O3S — CID 25125150

IUPAC5-(2,6-difluoro-4-morpholin-4-ylphenyl)-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2c(F)cc(N3CCOCC3)cc2F)sc1Nc1cccc(CN2CCOCC2)n1
InChIInChI=1S/C25H27F2N5O3S/c26-19-12-17(32-6-10-35-11-7-32)13-20(27)23(19)21-14-18(24(28)33)25(36-21)30-22-3-1-2-16(29-22)15-31-4-8-34-9-5-31/h1-3,12-14H,4-11,15H2,(H2,28,33)(H,29,30)
InChIKeyQWHAPABLCCLUNV-UHFFFAOYSA-N
MW515.59 g/mol
LogP3.60
Rot. Bonds7

About 5-(2,6-difluoro-4-morpholin-4-ylphenyl)-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide

5-(2,6-difluoro-4-morpholin-4-ylphenyl)-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 25125150) has the molecular formula C25H27F2N5O3S and a molecular weight of 515.59 g/mol. Its IUPAC name is 5-(2,6-difluoro-4-morpholin-4-ylphenyl)-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(2,6-difluoro-4-morpholin-4-ylphenyl)-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID25125150
Molecular FormulaC25H27F2N5O3S
Molecular Weight515.59 g/mol
Exact Mass515.18
IUPAC Name5-(2,6-difluoro-4-morpholin-4-ylphenyl)-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2c(F)cc(N3CCOCC3)cc2F)sc1Nc1cccc(CN2CCOCC2)n1
InChIInChI=1S/C25H27F2N5O3S/c26-19-12-17(32-6-10-35-11-7-32)13-20(27)23(19)21-14-18(24(28)33)25(36-21)30-22-3-1-2-16(29-22)15-31-4-8-34-9-5-31/h1-3,12-14H,4-11,15H2,(H2,28,33)(H,29,30)
InChIKeyQWHAPABLCCLUNV-UHFFFAOYSA-N
XLogP3.60
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.59
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluoro-4-morpholin-4-ylphenyl)-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-(2,6-difluoro-4-morpholin-4-ylphenyl)-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide (CID 25125150) is 5-(2,6-difluoro-4-morpholin-4-ylphenyl)-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-(2,6-difluoro-4-morpholin-4-ylphenyl)-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-(2,6-difluoro-4-morpholin-4-ylphenyl)-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide is NC(=O)c1cc(-c2c(F)cc(N3CCOCC3)cc2F)sc1Nc1cccc(CN2CCOCC2)n1.
What is the InChIKey of 5-(2,6-difluoro-4-morpholin-4-ylphenyl)-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is QWHAPABLCCLUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O3S/c26-19-12-17(32-6-10-35-11-7-32)13-20(27)23(19)21-14-18(24(28)33)25(36-21)30-22-3-1-2-16(29-22)15-31-4-8-34-9-5-31/h1-3,12-14H,4-11,15H2,(H2,28,33)(H,29,30).
What are the key properties of 5-(2,6-difluoro-4-morpholin-4-ylphenyl)-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
5-(2,6-difluoro-4-morpholin-4-ylphenyl)-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 515.59 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluoro-4-morpholin-4-ylphenyl)-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 25125150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).