morpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone

C22H19N5O2 — CID 59699864

IUPACmorpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2cnc3[nH]cc(-c4cncnc4)c3c2)c1)N1CCOCC1
InChIInChI=1S/C22H19N5O2/c28-22(27-4-6-29-7-5-27)16-3-1-2-15(8-16)17-9-19-20(13-26-21(19)25-12-17)18-10-23-14-24-11-18/h1-3,8-14H,4-7H2,(H,25,26)
InChIKeyKCJWELOGTUATGZ-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.16
Rot. Bonds3

About morpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone

morpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone (PubChem CID 59699864) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is morpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone
PubChem CID59699864
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Namemorpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2cnc3[nH]cc(-c4cncnc4)c3c2)c1)N1CCOCC1
InChIInChI=1S/C22H19N5O2/c28-22(27-4-6-29-7-5-27)16-3-1-2-15(8-16)17-9-19-20(13-26-21(19)25-12-17)18-10-23-14-24-11-18/h1-3,8-14H,4-7H2,(H,25,26)
InChIKeyKCJWELOGTUATGZ-UHFFFAOYSA-N
XLogP3.16
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[3-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59700143
[3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone
CID 141325162
[3-[3-(5-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59699915
[3-[3-(2-ethoxy-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 70960684
[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone
CID 146274494
[5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
CID 11661380
[5-[3-(1,3-benzodioxol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-hydroxyphenyl]-morpholin-4-ylmethanone
CID 59699723
[3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
CID 91832951
[3-[3-(2-ethylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59836037
4-[5-(3-carbamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 11952995
[4-[5-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-(1,3-oxazolidin-3-yl)methanone
CID 146274855
[3-(4-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 2428040

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone?
The IUPAC name of morpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone (CID 59699864) is morpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone is O=C(c1cccc(-c2cnc3[nH]cc(-c4cncnc4)c3c2)c1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone?
The InChIKey is KCJWELOGTUATGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c28-22(27-4-6-29-7-5-27)16-3-1-2-15(8-16)17-9-19-20(13-26-21(19)25-12-17)18-10-23-14-24-11-18/h1-3,8-14H,4-7H2,(H,25,26).
What are the key properties of morpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone?
morpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone has a molecular weight of 385.43 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone is sourced from PubChem (CID 59699864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).