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

C28H37N9O — CID 170062627

IUPAC1-[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
SMILESCCN1CCC(n2cc(-c3c[nH]c4ncc(-c5cnc(N6CCOCC6)c(CN(C)C)c5)nc34)cn2)CC1
InChIInChI=1S/C28H37N9O/c1-4-35-7-5-23(6-8-35)37-19-22(15-32-37)24-16-29-27-26(24)33-25(17-30-27)20-13-21(18-34(2)3)28(31-14-20)36-9-11-38-12-10-36/h13-17,19,23H,4-12,18H2,1-3H3,(H,29,30)
InChIKeyCTGHISUXQMBZOL-UHFFFAOYSA-N
MW515.67 g/mol
LogP3.44
Rot. Bonds7

About 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

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 (PubChem CID 170062627) has the molecular formula C28H37N9O and a molecular weight of 515.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID170062627
Molecular FormulaC28H37N9O
Molecular Weight515.67 g/mol
Exact Mass515.31
IUPAC Name1-[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
SMILESCCN1CCC(n2cc(-c3c[nH]c4ncc(-c5cnc(N6CCOCC6)c(CN(C)C)c5)nc34)cn2)CC1
InChIInChI=1S/C28H37N9O/c1-4-35-7-5-23(6-8-35)37-19-22(15-32-37)24-16-29-27-26(24)33-25(17-30-27)20-13-21(18-34(2)3)28(31-14-20)36-9-11-38-12-10-36/h13-17,19,23H,4-12,18H2,1-3H3,(H,29,30)
InChIKeyCTGHISUXQMBZOL-UHFFFAOYSA-N
XLogP3.44
TPSA91.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.67
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1CCC(n2cc(-c3c[nH]c4ncc(-c5cnc(N6CCOCC6)c(CN(C)C)c5)nc34)cn2)CC1.
What is the InChIKey of 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?
The InChIKey is CTGHISUXQMBZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N9O/c1-4-35-7-5-23(6-8-35)37-19-22(15-32-37)24-16-29-27-26(24)33-25(17-30-27)20-13-21(18-34(2)3)28(31-14-20)36-9-11-38-12-10-36/h13-17,19,23H,4-12,18H2,1-3H3,(H,29,30).
What are the key properties of 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?
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 has a molecular weight of 515.67 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170062627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).