5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]-8-(4-formyl-3-methylphenyl)imidazo[1,2-c]pyrimidine-2-carbonitrile

C25H20FN5O — CID 139381966

IUPAC5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]-8-(4-formyl-3-methylphenyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCC4)n3cc(C#N)nc23)ccc1C=O
InChIInChI=1S/C25H20FN5O/c1-15-9-17(5-6-18(15)14-32)21-11-28-25(31-13-19(10-27)30-24(21)31)29-12-22-20-4-2-3-16(20)7-8-23(22)26/h5-9,11,13-14H,2-4,12H2,1H3,(H,28,29)
InChIKeyKXFFLOQSRNGHTJ-UHFFFAOYSA-N
MW425.47 g/mol
LogP4.63
Rot. Bonds5

About 5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]-8-(4-formyl-3-methylphenyl)imidazo[1,2-c]pyrimidine-2-carbonitrile

5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]-8-(4-formyl-3-methylphenyl)imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 139381966) has the molecular formula C25H20FN5O and a molecular weight of 425.47 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]-8-(4-formyl-3-methylphenyl)imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]-8-(4-formyl-3-methylphenyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID139381966
Molecular FormulaC25H20FN5O
Molecular Weight425.47 g/mol
Exact Mass425.17
IUPAC Name5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]-8-(4-formyl-3-methylphenyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCC4)n3cc(C#N)nc23)ccc1C=O
InChIInChI=1S/C25H20FN5O/c1-15-9-17(5-6-18(15)14-32)21-11-28-25(31-13-19(10-27)30-24(21)31)29-12-22-20-4-2-3-16(20)7-8-23(22)26/h5-9,11,13-14H,2-4,12H2,1H3,(H,28,29)
InChIKeyKXFFLOQSRNGHTJ-UHFFFAOYSA-N
XLogP4.63
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-1H-inden-4-yl)methylamino]-8-(4-formyl-3-methylphenyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]-8-(4-formyl-3-methylphenyl)imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 139381966) is 5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]-8-(4-formyl-3-methylphenyl)imidazo[1,2-c]pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]-8-(4-formyl-3-methylphenyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]-8-(4-formyl-3-methylphenyl)imidazo[1,2-c]pyrimidine-2-carbonitrile is Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCC4)n3cc(C#N)nc23)ccc1C=O.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]-8-(4-formyl-3-methylphenyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is KXFFLOQSRNGHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O/c1-15-9-17(5-6-18(15)14-32)21-11-28-25(31-13-19(10-27)30-24(21)31)29-12-22-20-4-2-3-16(20)7-8-23(22)26/h5-9,11,13-14H,2-4,12H2,1H3,(H,28,29).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]-8-(4-formyl-3-methylphenyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]-8-(4-formyl-3-methylphenyl)imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 425.47 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]-8-(4-formyl-3-methylphenyl)imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 139381966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).