4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]morpholine

C22H20FN5O2 — CID 162648867

IUPAC4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]morpholine
SMILESCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CCOCC2)n1
InChIInChI=1S/C22H20FN5O2/c1-29-19-5-2-4-16(23)22(19)17-12-18-15(13-24-17)14-25-28(18)21-7-3-6-20(26-21)27-8-10-30-11-9-27/h2-7,12-14H,8-11H2,1H3
InChIKeyXPPHAMKKFBHWFX-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.47
Rot. Bonds4

About 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]morpholine

4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]morpholine (PubChem CID 162648867) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]morpholine
PubChem CID162648867
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]morpholine
SMILESCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CCOCC2)n1
InChIInChI=1S/C22H20FN5O2/c1-29-19-5-2-4-16(23)22(19)17-12-18-15(13-24-17)14-25-28(18)21-7-3-6-20(26-21)27-8-10-30-11-9-27/h2-7,12-14H,8-11H2,1H3
InChIKeyXPPHAMKKFBHWFX-UHFFFAOYSA-N
XLogP3.47
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]morpholine (CID 162648867) is 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]morpholine is COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CCOCC2)n1.
What is the InChIKey of 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]morpholine?
The InChIKey is XPPHAMKKFBHWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-29-19-5-2-4-16(23)22(19)17-12-18-15(13-24-17)14-25-28(18)21-7-3-6-20(26-21)27-8-10-30-11-9-27/h2-7,12-14H,8-11H2,1H3.
What are the key properties of 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]morpholine?
4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]morpholine has a molecular weight of 405.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 162648867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).