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

C23H17FN6O2 — CID 155676943

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-formyl-2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCc1nc(C=O)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
InChIInChI=1S/C23H17FN6O2/c1-13-16(3-2-14(12-31)28-13)19-10-27-23(30-11-15(8-25)29-22(19)30)26-9-18-17-6-7-32-21(17)5-4-20(18)24/h2-5,10-12H,6-7,9H2,1H3,(H,26,27)
InChIKeyBKYLWDPLQHYQGL-UHFFFAOYSA-N
MW428.43 g/mol
LogP3.47
Rot. Bonds5

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

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-formyl-2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155676943) has the molecular formula C23H17FN6O2 and a molecular weight of 428.43 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-formyl-2-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-(6-formyl-2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155676943
Molecular FormulaC23H17FN6O2
Molecular Weight428.43 g/mol
Exact Mass428.14
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-formyl-2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCc1nc(C=O)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
InChIInChI=1S/C23H17FN6O2/c1-13-16(3-2-14(12-31)28-13)19-10-27-23(30-11-15(8-25)29-22(19)30)26-9-18-17-6-7-32-21(17)5-4-20(18)24/h2-5,10-12H,6-7,9H2,1H3,(H,26,27)
InChIKeyBKYLWDPLQHYQGL-UHFFFAOYSA-N
XLogP3.47
TPSA105.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 53.47
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-(6-formyl-2-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-(6-formyl-2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155676943) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-formyl-2-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-(6-formyl-2-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-(6-formyl-2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile is Cc1nc(C=O)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-formyl-2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is BKYLWDPLQHYQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6O2/c1-13-16(3-2-14(12-31)28-13)19-10-27-23(30-11-15(8-25)29-22(19)30)26-9-18-17-6-7-32-21(17)5-4-20(18)24/h2-5,10-12H,6-7,9H2,1H3,(H,26,27).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-formyl-2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-formyl-2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 428.43 g/mol, XLogP of 3.47, 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-(6-formyl-2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155676943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).