4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine

C24H27FN6O2 — CID 70672080

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine
SMILESC[C@H](Nc1cc(N2CCC3(CC2)OCCO3)cc(Nc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C24H27FN6O2/c1-17(18-2-4-19(25)5-3-18)28-21-14-20(15-22(29-21)30-23-16-26-8-9-27-23)31-10-6-24(7-11-31)32-12-13-33-24/h2-5,8-9,14-17H,6-7,10-13H2,1H3,(H2,27,28,29,30)/t17-/m0/s1
InChIKeyBJVPCOYTLNNUOJ-KRWDZBQOSA-N
MW450.52 g/mol
LogP4.27
Rot. Bonds6

About 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine (PubChem CID 70672080) has the molecular formula C24H27FN6O2 and a molecular weight of 450.52 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine
PubChem CID70672080
Molecular FormulaC24H27FN6O2
Molecular Weight450.52 g/mol
Exact Mass450.22
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine
SMILESC[C@H](Nc1cc(N2CCC3(CC2)OCCO3)cc(Nc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C24H27FN6O2/c1-17(18-2-4-19(25)5-3-18)28-21-14-20(15-22(29-21)30-23-16-26-8-9-27-23)31-10-6-24(7-11-31)32-12-13-33-24/h2-5,8-9,14-17H,6-7,10-13H2,1H3,(H2,27,28,29,30)/t17-/m0/s1
InChIKeyBJVPCOYTLNNUOJ-KRWDZBQOSA-N
XLogP4.27
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine (CID 70672080) is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine is C[C@H](Nc1cc(N2CCC3(CC2)OCCO3)cc(Nc2cnccn2)n1)c1ccc(F)cc1.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine?
The InChIKey is BJVPCOYTLNNUOJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H27FN6O2/c1-17(18-2-4-19(25)5-3-18)28-21-14-20(15-22(29-21)30-23-16-26-8-9-27-23)31-10-6-24(7-11-31)32-12-13-33-24/h2-5,8-9,14-17H,6-7,10-13H2,1H3,(H2,27,28,29,30)/t17-/m0/s1.
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine?
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine has a molecular weight of 450.52 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine is sourced from PubChem (CID 70672080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).