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

C29H39N7O2 — CID 139383790

IUPAC4-[6-[1-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine
SMILESCC(C)c1nn(CCN2CCOCC2)c2ncc(-c3cnc4c(N5CCOCC5)cn(C(C)C)c4c3)cc12
InChIInChI=1S/C29H39N7O2/c1-20(2)27-24-15-22(18-31-29(24)36(32-27)6-5-33-7-11-37-12-8-33)23-16-25-28(30-17-23)26(19-35(25)21(3)4)34-9-13-38-14-10-34/h15-21H,5-14H2,1-4H3
InChIKeyKHBXCHSUQVHBPH-UHFFFAOYSA-N
MW517.68 g/mol
LogP4.32
Rot. Bonds7

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

4-[6-[1-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine (PubChem CID 139383790) has the molecular formula C29H39N7O2 and a molecular weight of 517.68 g/mol. Its IUPAC name is 4-[6-[1-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-[1-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine
PubChem CID139383790
Molecular FormulaC29H39N7O2
Molecular Weight517.68 g/mol
Exact Mass517.32
IUPAC Name4-[6-[1-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine
SMILESCC(C)c1nn(CCN2CCOCC2)c2ncc(-c3cnc4c(N5CCOCC5)cn(C(C)C)c4c3)cc12
InChIInChI=1S/C29H39N7O2/c1-20(2)27-24-15-22(18-31-29(24)36(32-27)6-5-33-7-11-37-12-8-33)23-16-25-28(30-17-23)26(19-35(25)21(3)4)34-9-13-38-14-10-34/h15-21H,5-14H2,1-4H3
InChIKeyKHBXCHSUQVHBPH-UHFFFAOYSA-N
XLogP4.32
TPSA73.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.68
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[6-[1-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazolo[5,4-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-[1-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine?
The IUPAC name of 4-[6-[1-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine (CID 139383790) is 4-[6-[1-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine.
What is the SMILES notation for 4-[6-[1-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine?
The canonical SMILES for 4-[6-[1-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine is CC(C)c1nn(CCN2CCOCC2)c2ncc(-c3cnc4c(N5CCOCC5)cn(C(C)C)c4c3)cc12.
What is the InChIKey of 4-[6-[1-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine?
The InChIKey is KHBXCHSUQVHBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N7O2/c1-20(2)27-24-15-22(18-31-29(24)36(32-27)6-5-33-7-11-37-12-8-33)23-16-25-28(30-17-23)26(19-35(25)21(3)4)34-9-13-38-14-10-34/h15-21H,5-14H2,1-4H3.
What are the key properties of 4-[6-[1-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine?
4-[6-[1-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine has a molecular weight of 517.68 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[1-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl]-1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]morpholine is sourced from PubChem (CID 139383790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).