cyclobutyl-[4-[7-(morpholin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]methanone

C21H29N5O2 — CID 92577916

IUPACcyclobutyl-[4-[7-(morpholin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(c2[nH]c3nccnc3c2CN2CCOCC2)CC1
InChIInChI=1S/C21H29N5O2/c27-21(16-2-1-3-16)26-8-4-15(5-9-26)18-17(14-25-10-12-28-13-11-25)19-20(24-18)23-7-6-22-19/h6-7,15-16H,1-5,8-14H2,(H,23,24)
InChIKeyASHBJLUPYBEHKI-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.30
Rot. Bonds4

About cyclobutyl-[4-[7-(morpholin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]methanone

cyclobutyl-[4-[7-(morpholin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]methanone (PubChem CID 92577916) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is cyclobutyl-[4-[7-(morpholin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[7-(morpholin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]methanone
PubChem CID92577916
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Namecyclobutyl-[4-[7-(morpholin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(c2[nH]c3nccnc3c2CN2CCOCC2)CC1
InChIInChI=1S/C21H29N5O2/c27-21(16-2-1-3-16)26-8-4-15(5-9-26)18-17(14-25-10-12-28-13-11-25)19-20(24-18)23-7-6-22-19/h6-7,15-16H,1-5,8-14H2,(H,23,24)
InChIKeyASHBJLUPYBEHKI-UHFFFAOYSA-N
XLogP2.30
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclobutyl-[4-[7-(morpholin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopropyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70766585
1-[3-[3-(1,4-oxazepan-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone
CID 110235220
cyclobutyl-[(3S)-3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone
CID 92577985
cyclobutyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158631
cyclopropyl-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 60773958
[(3S)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95229566
[(3R)-1-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95220320
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55467380
[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 25268867
1-[3-[2-methyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]propan-1-one
CID 127249630
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 93490177
4-[(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,4-oxazepane;hydrochloride
CID 118741935

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[7-(morpholin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[7-(morpholin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]methanone (CID 92577916) is cyclobutyl-[4-[7-(morpholin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[7-(morpholin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[7-(morpholin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]methanone is O=C(C1CCC1)N1CCC(c2[nH]c3nccnc3c2CN2CCOCC2)CC1.
What is the InChIKey of cyclobutyl-[4-[7-(morpholin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]methanone?
The InChIKey is ASHBJLUPYBEHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c27-21(16-2-1-3-16)26-8-4-15(5-9-26)18-17(14-25-10-12-28-13-11-25)19-20(24-18)23-7-6-22-19/h6-7,15-16H,1-5,8-14H2,(H,23,24).
What are the key properties of cyclobutyl-[4-[7-(morpholin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]methanone?
cyclobutyl-[4-[7-(morpholin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]methanone has a molecular weight of 383.50 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[7-(morpholin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 92577916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).