(4S)-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane

C20H22N6O2 — CID 122595673

IUPAC(4S)-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESc1cc(-c2nccc3c(N4CC5C[C@H]4CO5)cc(N4CCOCC4)nc23)[nH]n1
InChIInChI=1S/C20H22N6O2/c1-3-21-20(16-2-4-22-24-16)19-15(1)17(26-11-14-9-13(26)12-28-14)10-18(23-19)25-5-7-27-8-6-25/h1-4,10,13-14H,5-9,11-12H2,(H,22,24)/t13-,14?/m0/s1
InChIKeyJRDZDFMRADRJJK-LSLKUGRBSA-N
MW378.44 g/mol
LogP1.83
Rot. Bonds3

About (4S)-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane

(4S)-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 122595673) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is (4S)-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(4S)-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID122595673
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name(4S)-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESc1cc(-c2nccc3c(N4CC5C[C@H]4CO5)cc(N4CCOCC4)nc23)[nH]n1
InChIInChI=1S/C20H22N6O2/c1-3-21-20(16-2-4-22-24-16)19-15(1)17(26-11-14-9-13(26)12-28-14)10-18(23-19)25-5-7-27-8-6-25/h1-4,10,13-14H,5-9,11-12H2,(H,22,24)/t13-,14?/m0/s1
InChIKeyJRDZDFMRADRJJK-LSLKUGRBSA-N
XLogP1.83
TPSA79.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4S)-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of (4S)-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane (CID 122595673) is (4S)-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (4S)-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for (4S)-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane is c1cc(-c2nccc3c(N4CC5C[C@H]4CO5)cc(N4CCOCC4)nc23)[nH]n1.
What is the InChIKey of (4S)-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is JRDZDFMRADRJJK-LSLKUGRBSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-3-21-20(16-2-4-22-24-16)19-15(1)17(26-11-14-9-13(26)12-28-14)10-18(23-19)25-5-7-27-8-6-25/h1-4,10,13-14H,5-9,11-12H2,(H,22,24)/t13-,14?/m0/s1.
What are the key properties of (4S)-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane?
(4S)-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 378.44 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 122595673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).