4-[4-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-fluoro-6-methylphenyl]-2,2-dimethylmorpholine

C29H36FN7O — CID 170062390

IUPAC4-[4-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-fluoro-6-methylphenyl]-2,2-dimethylmorpholine
SMILESCCN1CCC(n2cc(-c3c[nH]c4ncc(-c5cc(C)c(N6CCOC(C)(C)C6)c(F)c5)nc34)cn2)CC1
InChIInChI=1S/C29H36FN7O/c1-5-35-8-6-22(7-9-35)37-17-21(14-33-37)23-15-31-28-26(23)34-25(16-32-28)20-12-19(2)27(24(30)13-20)36-10-11-38-29(3,4)18-36/h12-17,22H,5-11,18H2,1-4H3,(H,31,32)
InChIKeyTYZUEDPMQNBPKM-UHFFFAOYSA-N
MW517.65 g/mol
LogP5.21
Rot. Bonds5

About 4-[4-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-fluoro-6-methylphenyl]-2,2-dimethylmorpholine

4-[4-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-fluoro-6-methylphenyl]-2,2-dimethylmorpholine (PubChem CID 170062390) has the molecular formula C29H36FN7O and a molecular weight of 517.65 g/mol. Its IUPAC name is 4-[4-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-fluoro-6-methylphenyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-[4-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-fluoro-6-methylphenyl]-2,2-dimethylmorpholine
PubChem CID170062390
Molecular FormulaC29H36FN7O
Molecular Weight517.65 g/mol
Exact Mass517.30
IUPAC Name4-[4-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-fluoro-6-methylphenyl]-2,2-dimethylmorpholine
SMILESCCN1CCC(n2cc(-c3c[nH]c4ncc(-c5cc(C)c(N6CCOC(C)(C)C6)c(F)c5)nc34)cn2)CC1
InChIInChI=1S/C29H36FN7O/c1-5-35-8-6-22(7-9-35)37-17-21(14-33-37)23-15-31-28-26(23)34-25(16-32-28)20-12-19(2)27(24(30)13-20)36-10-11-38-29(3,4)18-36/h12-17,22H,5-11,18H2,1-4H3,(H,31,32)
InChIKeyTYZUEDPMQNBPKM-UHFFFAOYSA-N
XLogP5.21
TPSA75.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.65
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-fluoro-6-methylphenyl]-2,2-dimethylmorpholine with MolForge

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Related Compounds

4-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-2,2-dimethylmorpholine
CID 170062880
7-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane
CID 170062889
2-[3,5-dimethyl-4-(oxan-3-yl)phenyl]-7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine
CID 170062457
1-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-morpholin-4-yl-3-pyridinyl]-N,N-dimethylmethanamine
CID 170062627
1-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-morpholin-4-ylphenyl]-N,N-dimethylmethanamine
CID 170062394
3-[2,6-dimethyl-4-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-6-oxa-3-azabicyclo[3.1.1]heptane
CID 170062378
2-[5-ethyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine
CID 170062795
4-[5-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-1,3-thiazol-2-yl]morpholine
CID 170063141
3-[4,6-dimethyl-5-(oxan-4-yl)-2-pyridinyl]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-c]pyridazine
CID 167220353
3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5-(5-ethyl-6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 170066085
1-[5-[3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]-N,N-dimethylmethanamine
CID 170062809
5-(benzenesulfonyl)-2-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]-7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyrazine
CID 170065758

Frequently Asked Questions

What is the IUPAC name of 4-[4-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-fluoro-6-methylphenyl]-2,2-dimethylmorpholine?
The IUPAC name of 4-[4-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-fluoro-6-methylphenyl]-2,2-dimethylmorpholine (CID 170062390) is 4-[4-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-fluoro-6-methylphenyl]-2,2-dimethylmorpholine.
What is the SMILES notation for 4-[4-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-fluoro-6-methylphenyl]-2,2-dimethylmorpholine?
The canonical SMILES for 4-[4-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-fluoro-6-methylphenyl]-2,2-dimethylmorpholine is CCN1CCC(n2cc(-c3c[nH]c4ncc(-c5cc(C)c(N6CCOC(C)(C)C6)c(F)c5)nc34)cn2)CC1.
What is the InChIKey of 4-[4-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-fluoro-6-methylphenyl]-2,2-dimethylmorpholine?
The InChIKey is TYZUEDPMQNBPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36FN7O/c1-5-35-8-6-22(7-9-35)37-17-21(14-33-37)23-15-31-28-26(23)34-25(16-32-28)20-12-19(2)27(24(30)13-20)36-10-11-38-29(3,4)18-36/h12-17,22H,5-11,18H2,1-4H3,(H,31,32).
What are the key properties of 4-[4-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-fluoro-6-methylphenyl]-2,2-dimethylmorpholine?
4-[4-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-fluoro-6-methylphenyl]-2,2-dimethylmorpholine has a molecular weight of 517.65 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-fluoro-6-methylphenyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 170062390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).