4-[2-[4-[3-[3-fluoro-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine

C27H30FN5O3 — CID 72944897

IUPAC4-[2-[4-[3-[3-fluoro-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine
SMILESFc1cc(-c2c[nH]c3ncc(-c4cnn(CCN5CCOCC5)c4)cc23)ccc1OC1CCOCC1
InChIInChI=1S/C27H30FN5O3/c28-25-14-19(1-2-26(25)36-22-3-9-34-10-4-22)24-17-30-27-23(24)13-20(15-29-27)21-16-31-33(18-21)6-5-32-7-11-35-12-8-32/h1-2,13-18,22H,3-12H2,(H,29,30)
InChIKeyWMWIWQURZFOMOX-UHFFFAOYSA-N
MW491.57 g/mol
LogP4.12
Rot. Bonds7

About 4-[2-[4-[3-[3-fluoro-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine

4-[2-[4-[3-[3-fluoro-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine (PubChem CID 72944897) has the molecular formula C27H30FN5O3 and a molecular weight of 491.57 g/mol. Its IUPAC name is 4-[2-[4-[3-[3-fluoro-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[3-[3-fluoro-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine
PubChem CID72944897
Molecular FormulaC27H30FN5O3
Molecular Weight491.57 g/mol
Exact Mass491.23
IUPAC Name4-[2-[4-[3-[3-fluoro-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine
SMILESFc1cc(-c2c[nH]c3ncc(-c4cnn(CCN5CCOCC5)c4)cc23)ccc1OC1CCOCC1
InChIInChI=1S/C27H30FN5O3/c28-25-14-19(1-2-26(25)36-22-3-9-34-10-4-22)24-17-30-27-23(24)13-20(15-29-27)21-16-31-33(18-21)6-5-32-7-11-35-12-8-32/h1-2,13-18,22H,3-12H2,(H,29,30)
InChIKeyWMWIWQURZFOMOX-UHFFFAOYSA-N
XLogP4.12
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 5329453
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CID 23648674
CID 5329452
CID 5329452
CID 23648676
CID 23648676
CID 50997746
CID 50997746
CID 50899556
CID 50899556
CID 52945752
CID 52945752
CID 52945753
CID 52945753
CID 22736332
CID 22736332
CID 44223352
CID 44223352

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[3-[3-fluoro-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[3-[3-fluoro-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine (CID 72944897) is 4-[2-[4-[3-[3-fluoro-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[3-[3-fluoro-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[3-[3-fluoro-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine is Fc1cc(-c2c[nH]c3ncc(-c4cnn(CCN5CCOCC5)c4)cc23)ccc1OC1CCOCC1.
What is the InChIKey of 4-[2-[4-[3-[3-fluoro-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine?
The InChIKey is WMWIWQURZFOMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O3/c28-25-14-19(1-2-26(25)36-22-3-9-34-10-4-22)24-17-30-27-23(24)13-20(15-29-27)21-16-31-33(18-21)6-5-32-7-11-35-12-8-32/h1-2,13-18,22H,3-12H2,(H,29,30).
What are the key properties of 4-[2-[4-[3-[3-fluoro-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine?
4-[2-[4-[3-[3-fluoro-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine has a molecular weight of 491.57 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[3-[3-fluoro-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 72944897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).