5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-6-formyl-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile

C23H16F2N6O2 — CID 155676950

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-6-formyl-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCc1c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cnc(C=O)c1F
InChIInChI=1S/C23H16F2N6O2/c1-12-15(7-27-19(11-32)21(12)25)17-9-29-23(31-10-13(6-26)30-22(17)31)28-8-16-14-4-5-33-20(14)3-2-18(16)24/h2-3,7,9-11H,4-5,8H2,1H3,(H,28,29)
InChIKeyUZFYGPNMLAIQMC-UHFFFAOYSA-N
MW446.42 g/mol
LogP3.61
Rot. Bonds5

About 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-6-formyl-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-6-formyl-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155676950) has the molecular formula C23H16F2N6O2 and a molecular weight of 446.42 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-6-formyl-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-6-formyl-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155676950
Molecular FormulaC23H16F2N6O2
Molecular Weight446.42 g/mol
Exact Mass446.13
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-6-formyl-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCc1c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cnc(C=O)c1F
InChIInChI=1S/C23H16F2N6O2/c1-12-15(7-27-19(11-32)21(12)25)17-9-29-23(31-10-13(6-26)30-22(17)31)28-8-16-14-4-5-33-20(14)3-2-18(16)24/h2-3,7,9-11H,4-5,8H2,1H3,(H,28,29)
InChIKeyUZFYGPNMLAIQMC-UHFFFAOYSA-N
XLogP3.61
TPSA105.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-6-formyl-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-6-formyl-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155676950) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-6-formyl-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-6-formyl-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-6-formyl-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile is Cc1c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cnc(C=O)c1F.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-6-formyl-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is UZFYGPNMLAIQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N6O2/c1-12-15(7-27-19(11-32)21(12)25)17-9-29-23(31-10-13(6-26)30-22(17)31)28-8-16-14-4-5-33-20(14)3-2-18(16)24/h2-3,7,9-11H,4-5,8H2,1H3,(H,28,29).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-6-formyl-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-6-formyl-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 446.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-6-formyl-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155676950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).