4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide

C27H29N5O2 — CID 146274656

IUPAC4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide
SMILESC[C@@H]1CN(c2ccc(-c3cnc4[nH]cc(-c5ccc(C(=O)N(C)C)cc5)c4n3)cc2)C[C@H](C)O1
InChIInChI=1S/C27H29N5O2/c1-17-15-32(16-18(2)34-17)22-11-9-20(10-12-22)24-14-29-26-25(30-24)23(13-28-26)19-5-7-21(8-6-19)27(33)31(3)4/h5-14,17-18H,15-16H2,1-4H3,(H,28,29)/t17-,18+
InChIKeyQGYDJUWFVLYQFL-HDICACEKSA-N
MW455.56 g/mol
LogP4.61
Rot. Bonds4

About 4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide

4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide (PubChem CID 146274656) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide
PubChem CID146274656
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide
SMILESC[C@@H]1CN(c2ccc(-c3cnc4[nH]cc(-c5ccc(C(=O)N(C)C)cc5)c4n3)cc2)C[C@H](C)O1
InChIInChI=1S/C27H29N5O2/c1-17-15-32(16-18(2)34-17)22-11-9-20(10-12-22)24-14-29-26-25(30-24)23(13-28-26)19-5-7-21(8-6-19)27(33)31(3)4/h5-14,17-18H,15-16H2,1-4H3,(H,28,29)/t17-,18+
InChIKeyQGYDJUWFVLYQFL-HDICACEKSA-N
XLogP4.61
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide (CID 146274656) is 4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide is C[C@@H]1CN(c2ccc(-c3cnc4[nH]cc(-c5ccc(C(=O)N(C)C)cc5)c4n3)cc2)C[C@H](C)O1.
What is the InChIKey of 4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide?
The InChIKey is QGYDJUWFVLYQFL-HDICACEKSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-17-15-32(16-18(2)34-17)22-11-9-20(10-12-22)24-14-29-26-25(30-24)23(13-28-26)19-5-7-21(8-6-19)27(33)31(3)4/h5-14,17-18H,15-16H2,1-4H3,(H,28,29)/t17-,18+.
What are the key properties of 4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide?
4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide has a molecular weight of 455.56 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 146274656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).