4-[2-[4-[5-[1-[(3,5-difluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine

C29H27F2N9O — CID 138522562

IUPAC4-[2-[4-[5-[1-[(3,5-difluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine
SMILESCc1nc2ncc(-n3ccc4ncc(-c5cnn(CCN6CCOCC6)c5)nc43)cc2n1Cc1cc(F)cc(F)c1
InChIInChI=1S/C29H27F2N9O/c1-19-35-28-27(40(19)17-20-10-22(30)12-23(31)11-20)13-24(15-33-28)39-3-2-25-29(39)36-26(16-32-25)21-14-34-38(18-21)5-4-37-6-8-41-9-7-37/h2-3,10-16,18H,4-9,17H2,1H3
InChIKeyICIUQYFKBPPSKY-UHFFFAOYSA-N
MW555.59 g/mol
LogP4.00
Rot. Bonds7

About 4-[2-[4-[5-[1-[(3,5-difluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine

4-[2-[4-[5-[1-[(3,5-difluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine (PubChem CID 138522562) has the molecular formula C29H27F2N9O and a molecular weight of 555.59 g/mol. Its IUPAC name is 4-[2-[4-[5-[1-[(3,5-difluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[5-[1-[(3,5-difluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine
PubChem CID138522562
Molecular FormulaC29H27F2N9O
Molecular Weight555.59 g/mol
Exact Mass555.23
IUPAC Name4-[2-[4-[5-[1-[(3,5-difluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine
SMILESCc1nc2ncc(-n3ccc4ncc(-c5cnn(CCN6CCOCC6)c5)nc43)cc2n1Cc1cc(F)cc(F)c1
InChIInChI=1S/C29H27F2N9O/c1-19-35-28-27(40(19)17-20-10-22(30)12-23(31)11-20)13-24(15-33-28)39-3-2-25-29(39)36-26(16-32-25)21-14-34-38(18-21)5-4-37-6-8-41-9-7-37/h2-3,10-16,18H,4-9,17H2,1H3
InChIKeyICIUQYFKBPPSKY-UHFFFAOYSA-N
XLogP4.00
TPSA91.71 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.59
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[2-[4-[5-[1-[(3,5-difluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[5-[1-[(3,5-difluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[5-[1-[(3,5-difluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine (CID 138522562) is 4-[2-[4-[5-[1-[(3,5-difluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[5-[1-[(3,5-difluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[5-[1-[(3,5-difluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine is Cc1nc2ncc(-n3ccc4ncc(-c5cnn(CCN6CCOCC6)c5)nc43)cc2n1Cc1cc(F)cc(F)c1.
What is the InChIKey of 4-[2-[4-[5-[1-[(3,5-difluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine?
The InChIKey is ICIUQYFKBPPSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F2N9O/c1-19-35-28-27(40(19)17-20-10-22(30)12-23(31)11-20)13-24(15-33-28)39-3-2-25-29(39)36-26(16-32-25)21-14-34-38(18-21)5-4-37-6-8-41-9-7-37/h2-3,10-16,18H,4-9,17H2,1H3.
What are the key properties of 4-[2-[4-[5-[1-[(3,5-difluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine?
4-[2-[4-[5-[1-[(3,5-difluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine has a molecular weight of 555.59 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[5-[1-[(3,5-difluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 138522562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).