4-[6-[3-ethyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine

C28H37N7O2 — CID 137457604

IUPAC4-[6-[3-ethyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine
SMILESCCc1nn(CCN2CCOCC2)c2ncc(-c3cnc4c(N5CCOCC5)cn(C(C)C)c4c3)cc12
InChIInChI=1S/C28H37N7O2/c1-4-24-23-15-21(18-30-28(23)35(31-24)6-5-32-7-11-36-12-8-32)22-16-25-27(29-17-22)26(19-34(25)20(2)3)33-9-13-37-14-10-33/h15-20H,4-14H2,1-3H3
InChIKeyTYYVLKRCSSGKSR-UHFFFAOYSA-N
MW503.65 g/mol
LogP3.76
Rot. Bonds7

About 4-[6-[3-ethyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine

4-[6-[3-ethyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine (PubChem CID 137457604) has the molecular formula C28H37N7O2 and a molecular weight of 503.65 g/mol. Its IUPAC name is 4-[6-[3-ethyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-[3-ethyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine
PubChem CID137457604
Molecular FormulaC28H37N7O2
Molecular Weight503.65 g/mol
Exact Mass503.30
IUPAC Name4-[6-[3-ethyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine
SMILESCCc1nn(CCN2CCOCC2)c2ncc(-c3cnc4c(N5CCOCC5)cn(C(C)C)c4c3)cc12
InChIInChI=1S/C28H37N7O2/c1-4-24-23-15-21(18-30-28(23)35(31-24)6-5-32-7-11-36-12-8-32)22-16-25-27(29-17-22)26(19-34(25)20(2)3)33-9-13-37-14-10-33/h15-20H,4-14H2,1-3H3
InChIKeyTYYVLKRCSSGKSR-UHFFFAOYSA-N
XLogP3.76
TPSA73.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.65
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[6-[3-ethyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-ethyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine?
The IUPAC name of 4-[6-[3-ethyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine (CID 137457604) is 4-[6-[3-ethyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine.
What is the SMILES notation for 4-[6-[3-ethyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine?
The canonical SMILES for 4-[6-[3-ethyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine is CCc1nn(CCN2CCOCC2)c2ncc(-c3cnc4c(N5CCOCC5)cn(C(C)C)c4c3)cc12.
What is the InChIKey of 4-[6-[3-ethyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine?
The InChIKey is TYYVLKRCSSGKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N7O2/c1-4-24-23-15-21(18-30-28(23)35(31-24)6-5-32-7-11-36-12-8-32)22-16-25-27(29-17-22)26(19-34(25)20(2)3)33-9-13-37-14-10-33/h15-20H,4-14H2,1-3H3.
What are the key properties of 4-[6-[3-ethyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine?
4-[6-[3-ethyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine has a molecular weight of 503.65 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-ethyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine is sourced from PubChem (CID 137457604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).