4-[1-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)piperidin-4-yl]morpholine

C24H25FN6O — CID 44548979

IUPAC4-[1-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)piperidin-4-yl]morpholine
SMILESFc1cnc2[nH]c3cnc(-c4cccnc4)cc3c2c1N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C24H25FN6O/c25-19-14-28-24-22(18-12-20(27-15-21(18)29-24)16-2-1-5-26-13-16)23(19)31-6-3-17(4-7-31)30-8-10-32-11-9-30/h1-2,5,12-15,17H,3-4,6-11H2,(H,28,29)
InChIKeyRIPAGBVNEYUQON-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.61
Rot. Bonds3

About 4-[1-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)piperidin-4-yl]morpholine

4-[1-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)piperidin-4-yl]morpholine (PubChem CID 44548979) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 4-[1-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)piperidin-4-yl]morpholine
PubChem CID44548979
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name4-[1-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)piperidin-4-yl]morpholine
SMILESFc1cnc2[nH]c3cnc(-c4cccnc4)cc3c2c1N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C24H25FN6O/c25-19-14-28-24-22(18-12-20(27-15-21(18)29-24)16-2-1-5-26-13-16)23(19)31-6-3-17(4-7-31)30-8-10-32-11-9-30/h1-2,5,12-15,17H,3-4,6-11H2,(H,28,29)
InChIKeyRIPAGBVNEYUQON-UHFFFAOYSA-N
XLogP3.61
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)piperidin-4-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)piperidin-4-yl]morpholine (CID 44548979) is 4-[1-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)piperidin-4-yl]morpholine is Fc1cnc2[nH]c3cnc(-c4cccnc4)cc3c2c1N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 4-[1-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)piperidin-4-yl]morpholine?
The InChIKey is RIPAGBVNEYUQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c25-19-14-28-24-22(18-12-20(27-15-21(18)29-24)16-2-1-5-26-13-16)23(19)31-6-3-17(4-7-31)30-8-10-32-11-9-30/h1-2,5,12-15,17H,3-4,6-11H2,(H,28,29).
What are the key properties of 4-[1-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)piperidin-4-yl]morpholine?
4-[1-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)piperidin-4-yl]morpholine has a molecular weight of 432.50 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)piperidin-4-yl]morpholine is sourced from PubChem (CID 44548979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).