(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-[6-[4-[4-(1H-imidazol-5-yl)anilino]pyrimidin-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methanone

C26H23F2N7OS — CID 177269630

IUPAC(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-[6-[4-[4-(1H-imidazol-5-yl)anilino]pyrimidin-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methanone
SMILESO=C(c1cc2c(s1)CN(c1nccc(Nc3ccc(-c4cnc[nH]4)cc3)n1)CC2)N1CC2C(C1)C2(F)F
InChIInChI=1S/C26H23F2N7OS/c27-26(28)18-11-35(12-19(18)26)24(36)21-9-16-6-8-34(13-22(16)37-21)25-30-7-5-23(33-25)32-17-3-1-15(2-4-17)20-10-29-14-31-20/h1-5,7,9-10,14,18-19H,6,8,11-13H2,(H,29,31)(H,30,32,33)
InChIKeyUZZAYKAIWCQCFG-UHFFFAOYSA-N
MW519.58 g/mol
LogP4.57
Rot. Bonds5

About (6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-[6-[4-[4-(1H-imidazol-5-yl)anilino]pyrimidin-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methanone

(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-[6-[4-[4-(1H-imidazol-5-yl)anilino]pyrimidin-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methanone (PubChem CID 177269630) has the molecular formula C26H23F2N7OS and a molecular weight of 519.58 g/mol. Its IUPAC name is (6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-[6-[4-[4-(1H-imidazol-5-yl)anilino]pyrimidin-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methanone.

Molecular Properties

Compound Name(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-[6-[4-[4-(1H-imidazol-5-yl)anilino]pyrimidin-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methanone
PubChem CID177269630
Molecular FormulaC26H23F2N7OS
Molecular Weight519.58 g/mol
Exact Mass519.17
IUPAC Name(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-[6-[4-[4-(1H-imidazol-5-yl)anilino]pyrimidin-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methanone
SMILESO=C(c1cc2c(s1)CN(c1nccc(Nc3ccc(-c4cnc[nH]4)cc3)n1)CC2)N1CC2C(C1)C2(F)F
InChIInChI=1S/C26H23F2N7OS/c27-26(28)18-11-35(12-19(18)26)24(36)21-9-16-6-8-34(13-22(16)37-21)25-30-7-5-23(33-25)32-17-3-1-15(2-4-17)20-10-29-14-31-20/h1-5,7,9-10,14,18-19H,6,8,11-13H2,(H,29,31)(H,30,32,33)
InChIKeyUZZAYKAIWCQCFG-UHFFFAOYSA-N
XLogP4.57
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.58
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-[6-[4-[4-(1H-imidazol-5-yl)anilino]pyrimidin-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-[6-[4-[4-(1H-imidazol-5-yl)anilino]pyrimidin-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methanone?
The IUPAC name of (6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-[6-[4-[4-(1H-imidazol-5-yl)anilino]pyrimidin-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methanone (CID 177269630) is (6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-[6-[4-[4-(1H-imidazol-5-yl)anilino]pyrimidin-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methanone.
What is the SMILES notation for (6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-[6-[4-[4-(1H-imidazol-5-yl)anilino]pyrimidin-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methanone?
The canonical SMILES for (6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-[6-[4-[4-(1H-imidazol-5-yl)anilino]pyrimidin-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methanone is O=C(c1cc2c(s1)CN(c1nccc(Nc3ccc(-c4cnc[nH]4)cc3)n1)CC2)N1CC2C(C1)C2(F)F.
What is the InChIKey of (6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-[6-[4-[4-(1H-imidazol-5-yl)anilino]pyrimidin-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methanone?
The InChIKey is UZZAYKAIWCQCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N7OS/c27-26(28)18-11-35(12-19(18)26)24(36)21-9-16-6-8-34(13-22(16)37-21)25-30-7-5-23(33-25)32-17-3-1-15(2-4-17)20-10-29-14-31-20/h1-5,7,9-10,14,18-19H,6,8,11-13H2,(H,29,31)(H,30,32,33).
What are the key properties of (6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-[6-[4-[4-(1H-imidazol-5-yl)anilino]pyrimidin-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methanone?
(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-[6-[4-[4-(1H-imidazol-5-yl)anilino]pyrimidin-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methanone has a molecular weight of 519.58 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-[6-[4-[4-(1H-imidazol-5-yl)anilino]pyrimidin-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methanone is sourced from PubChem (CID 177269630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).