4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2-fluoro-N,N,5-trimethylbenzamide

C26H22F2N6O2 — CID 155787971

IUPAC4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2-fluoro-N,N,5-trimethylbenzamide
SMILESCc1cc(C(=O)N(C)C)c(F)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
InChIInChI=1S/C26H22F2N6O2/c1-14-8-18(25(35)33(2)3)22(28)9-17(14)20-12-31-26(34-13-15(10-29)32-24(20)34)30-11-19-16-6-7-36-23(16)5-4-21(19)27/h4-5,8-9,12-13H,6-7,11H2,1-3H3,(H,30,31)
InChIKeyYMUFEFMSYPTSRF-UHFFFAOYSA-N
MW488.50 g/mol
LogP4.10
Rot. Bonds5

About 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2-fluoro-N,N,5-trimethylbenzamide

4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2-fluoro-N,N,5-trimethylbenzamide (PubChem CID 155787971) has the molecular formula C26H22F2N6O2 and a molecular weight of 488.50 g/mol. Its IUPAC name is 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2-fluoro-N,N,5-trimethylbenzamide.

Molecular Properties

Compound Name4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2-fluoro-N,N,5-trimethylbenzamide
PubChem CID155787971
Molecular FormulaC26H22F2N6O2
Molecular Weight488.50 g/mol
Exact Mass488.18
IUPAC Name4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2-fluoro-N,N,5-trimethylbenzamide
SMILESCc1cc(C(=O)N(C)C)c(F)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
InChIInChI=1S/C26H22F2N6O2/c1-14-8-18(25(35)33(2)3)22(28)9-17(14)20-12-31-26(34-13-15(10-29)32-24(20)34)30-11-19-16-6-7-36-23(16)5-4-21(19)27/h4-5,8-9,12-13H,6-7,11H2,1-3H3,(H,30,31)
InChIKeyYMUFEFMSYPTSRF-UHFFFAOYSA-N
XLogP4.10
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2-fluoro-N,N,5-trimethylbenzamide?
The IUPAC name of 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2-fluoro-N,N,5-trimethylbenzamide (CID 155787971) is 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2-fluoro-N,N,5-trimethylbenzamide.
What is the SMILES notation for 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2-fluoro-N,N,5-trimethylbenzamide?
The canonical SMILES for 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2-fluoro-N,N,5-trimethylbenzamide is Cc1cc(C(=O)N(C)C)c(F)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12.
What is the InChIKey of 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2-fluoro-N,N,5-trimethylbenzamide?
The InChIKey is YMUFEFMSYPTSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N6O2/c1-14-8-18(25(35)33(2)3)22(28)9-17(14)20-12-31-26(34-13-15(10-29)32-24(20)34)30-11-19-16-6-7-36-23(16)5-4-21(19)27/h4-5,8-9,12-13H,6-7,11H2,1-3H3,(H,30,31).
What are the key properties of 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2-fluoro-N,N,5-trimethylbenzamide?
4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2-fluoro-N,N,5-trimethylbenzamide has a molecular weight of 488.50 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2-fluoro-N,N,5-trimethylbenzamide is sourced from PubChem (CID 155787971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).