cyclobutyl-[(3S)-3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone

C15H18N4O — CID 92577985

IUPACcyclobutyl-[(3S)-3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CC[C@H](c2cc3nccnc3[nH]2)C1
InChIInChI=1S/C15H18N4O/c20-15(10-2-1-3-10)19-7-4-11(9-19)12-8-13-14(18-12)17-6-5-16-13/h5-6,8,10-11H,1-4,7,9H2,(H,17,18)/t11-/m0/s1
InChIKeyIHHDPLQRKDJYNU-NSHDSACASA-N
MW270.34 g/mol
LogP2.07
Rot. Bonds2

About cyclobutyl-[(3S)-3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone

cyclobutyl-[(3S)-3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone (PubChem CID 92577985) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is cyclobutyl-[(3S)-3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(3S)-3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone
PubChem CID92577985
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Namecyclobutyl-[(3S)-3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CC[C@H](c2cc3nccnc3[nH]2)C1
InChIInChI=1S/C15H18N4O/c20-15(10-2-1-3-10)19-7-4-11(9-19)12-8-13-14(18-12)17-6-5-16-13/h5-6,8,10-11H,1-4,7,9H2,(H,17,18)/t11-/m0/s1
InChIKeyIHHDPLQRKDJYNU-NSHDSACASA-N
XLogP2.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclobutyl-[(3S)-3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

7-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92571730
(5-methylpyrazin-2-yl)-[3-(3-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone
CID 46973257
(5-methylpyrazin-2-yl)-[(3R)-3-(3-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone
CID 92627535
[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 110269324
cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 95730626
1-methyl-4-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110234485
cyclobutyl-[(3S)-3-[4-[2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 125017164
cyclobutyl-[4-[7-(morpholin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]methanone
CID 92577916
cyclopentyl-[3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 134798256
7-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92567095
cyclopentyl-[3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 134797363
cyclopentyl-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 118740278

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(3S)-3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[(3S)-3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone (CID 92577985) is cyclobutyl-[(3S)-3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[(3S)-3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[(3S)-3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone is O=C(C1CCC1)N1CC[C@H](c2cc3nccnc3[nH]2)C1.
What is the InChIKey of cyclobutyl-[(3S)-3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone?
The InChIKey is IHHDPLQRKDJYNU-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(10-2-1-3-10)19-7-4-11(9-19)12-8-13-14(18-12)17-6-5-16-13/h5-6,8,10-11H,1-4,7,9H2,(H,17,18)/t11-/m0/s1.
What are the key properties of cyclobutyl-[(3S)-3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone?
cyclobutyl-[(3S)-3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone has a molecular weight of 270.34 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(3S)-3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92577985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).