15-(6-cyclopropyl-3-pyridinyl)-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

C26H23FN6O2 — CID 138458392

IUPAC15-(6-cyclopropyl-3-pyridinyl)-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
SMILESO=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(F)c(-c3ccc(C4CC4)nc3)cc21
InChIInChI=1S/C26H23FN6O2/c27-20-13-23-19(12-18(20)17-8-9-21(28-14-17)16-6-7-16)26(34)31-24-5-3-4-22(30-24)25-32-29-15-33(25)10-1-2-11-35-23/h3-5,8-9,12-16H,1-2,6-7,10-11H2,(H,30,31,34)
InChIKeyQHQIQBLBMNJCQC-UHFFFAOYSA-N
MW470.51 g/mol
LogP4.84
Rot. Bonds2

About 15-(6-cyclopropyl-3-pyridinyl)-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

15-(6-cyclopropyl-3-pyridinyl)-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (PubChem CID 138458392) has the molecular formula C26H23FN6O2 and a molecular weight of 470.51 g/mol. Its IUPAC name is 15-(6-cyclopropyl-3-pyridinyl)-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.

Molecular Properties

Compound Name15-(6-cyclopropyl-3-pyridinyl)-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
PubChem CID138458392
Molecular FormulaC26H23FN6O2
Molecular Weight470.51 g/mol
Exact Mass470.19
IUPAC Name15-(6-cyclopropyl-3-pyridinyl)-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
SMILESO=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(F)c(-c3ccc(C4CC4)nc3)cc21
InChIInChI=1S/C26H23FN6O2/c27-20-13-23-19(12-18(20)17-8-9-21(28-14-17)16-6-7-16)26(34)31-24-5-3-4-22(30-24)25-32-29-15-33(25)10-1-2-11-35-23/h3-5,8-9,12-16H,1-2,6-7,10-11H2,(H,30,31,34)
InChIKeyQHQIQBLBMNJCQC-UHFFFAOYSA-N
XLogP4.84
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 15-(6-cyclopropyl-3-pyridinyl)-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-(6-cyclopropyl-3-pyridinyl)-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The IUPAC name of 15-(6-cyclopropyl-3-pyridinyl)-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (CID 138458392) is 15-(6-cyclopropyl-3-pyridinyl)-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.
What is the SMILES notation for 15-(6-cyclopropyl-3-pyridinyl)-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The canonical SMILES for 15-(6-cyclopropyl-3-pyridinyl)-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is O=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(F)c(-c3ccc(C4CC4)nc3)cc21.
What is the InChIKey of 15-(6-cyclopropyl-3-pyridinyl)-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The InChIKey is QHQIQBLBMNJCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2/c27-20-13-23-19(12-18(20)17-8-9-21(28-14-17)16-6-7-16)26(34)31-24-5-3-4-22(30-24)25-32-29-15-33(25)10-1-2-11-35-23/h3-5,8-9,12-16H,1-2,6-7,10-11H2,(H,30,31,34).
What are the key properties of 15-(6-cyclopropyl-3-pyridinyl)-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
15-(6-cyclopropyl-3-pyridinyl)-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one has a molecular weight of 470.51 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(6-cyclopropyl-3-pyridinyl)-14-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is sourced from PubChem (CID 138458392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).