4-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-12-oxa-3,5,7,8-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraen-6-amine

C26H23FN6O — CID 165057205

IUPAC4-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-12-oxa-3,5,7,8-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraen-6-amine
SMILESFc1cncc(-c2nc(N[C@@H]3CCC4=C(C3)c3ccccc3C4)n3nc4c(c3n2)COCC4)c1
InChIInChI=1S/C26H23FN6O/c27-18-10-17(12-28-13-18)24-30-25-22-14-34-8-7-23(22)32-33(25)26(31-24)29-19-6-5-16-9-15-3-1-2-4-20(15)21(16)11-19/h1-4,10,12-13,19H,5-9,11,14H2,(H,29,30,31)/t19-/m1/s1
InChIKeyQPUMDTDAYJQORH-LJQANCHMSA-N
MW454.51 g/mol
LogP4.37
Rot. Bonds3

About 4-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-12-oxa-3,5,7,8-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraen-6-amine

4-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-12-oxa-3,5,7,8-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraen-6-amine (PubChem CID 165057205) has the molecular formula C26H23FN6O and a molecular weight of 454.51 g/mol. Its IUPAC name is 4-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-12-oxa-3,5,7,8-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraen-6-amine.

Molecular Properties

Compound Name4-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-12-oxa-3,5,7,8-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraen-6-amine
PubChem CID165057205
Molecular FormulaC26H23FN6O
Molecular Weight454.51 g/mol
Exact Mass454.19
IUPAC Name4-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-12-oxa-3,5,7,8-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraen-6-amine
SMILESFc1cncc(-c2nc(N[C@@H]3CCC4=C(C3)c3ccccc3C4)n3nc4c(c3n2)COCC4)c1
InChIInChI=1S/C26H23FN6O/c27-18-10-17(12-28-13-18)24-30-25-22-14-34-8-7-23(22)32-33(25)26(31-24)29-19-6-5-16-9-15-3-1-2-4-20(15)21(16)11-19/h1-4,10,12-13,19H,5-9,11,14H2,(H,29,30,31)/t19-/m1/s1
InChIKeyQPUMDTDAYJQORH-LJQANCHMSA-N
XLogP4.37
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-12-oxa-3,5,7,8-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraen-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-12-oxa-3,5,7,8-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraen-6-amine?
The IUPAC name of 4-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-12-oxa-3,5,7,8-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraen-6-amine (CID 165057205) is 4-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-12-oxa-3,5,7,8-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraen-6-amine.
What is the SMILES notation for 4-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-12-oxa-3,5,7,8-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraen-6-amine?
The canonical SMILES for 4-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-12-oxa-3,5,7,8-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraen-6-amine is Fc1cncc(-c2nc(N[C@@H]3CCC4=C(C3)c3ccccc3C4)n3nc4c(c3n2)COCC4)c1.
What is the InChIKey of 4-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-12-oxa-3,5,7,8-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraen-6-amine?
The InChIKey is QPUMDTDAYJQORH-LJQANCHMSA-N. The full InChI is InChI=1S/C26H23FN6O/c27-18-10-17(12-28-13-18)24-30-25-22-14-34-8-7-23(22)32-33(25)26(31-24)29-19-6-5-16-9-15-3-1-2-4-20(15)21(16)11-19/h1-4,10,12-13,19H,5-9,11,14H2,(H,29,30,31)/t19-/m1/s1.
What are the key properties of 4-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-12-oxa-3,5,7,8-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraen-6-amine?
4-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-12-oxa-3,5,7,8-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraen-6-amine has a molecular weight of 454.51 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-12-oxa-3,5,7,8-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraen-6-amine is sourced from PubChem (CID 165057205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).