[4-(methoxymethyl)phenyl]-(5-propan-2-ylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone

C20H24N4O2 — CID 131697176

IUPAC[4-(methoxymethyl)phenyl]-(5-propan-2-ylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone
SMILESCOCc1ccc(C(=O)N2CC3(C2)CN(C(C)C)c2nccnc23)cc1
InChIInChI=1S/C20H24N4O2/c1-14(2)24-13-20(17-18(24)22-9-8-21-17)11-23(12-20)19(25)16-6-4-15(5-7-16)10-26-3/h4-9,14H,10-13H2,1-3H3
InChIKeyRRTHSISSTCKNBN-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.25
Rot. Bonds4

About [4-(methoxymethyl)phenyl]-(5-propan-2-ylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone

[4-(methoxymethyl)phenyl]-(5-propan-2-ylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone (PubChem CID 131697176) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [4-(methoxymethyl)phenyl]-(5-propan-2-ylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)phenyl]-(5-propan-2-ylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone
PubChem CID131697176
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name[4-(methoxymethyl)phenyl]-(5-propan-2-ylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone
SMILESCOCc1ccc(C(=O)N2CC3(C2)CN(C(C)C)c2nccnc23)cc1
InChIInChI=1S/C20H24N4O2/c1-14(2)24-13-20(17-18(24)22-9-8-21-17)11-23(12-20)19(25)16-6-4-15(5-7-16)10-26-3/h4-9,14H,10-13H2,1-3H3
InChIKeyRRTHSISSTCKNBN-UHFFFAOYSA-N
XLogP2.25
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(methoxymethyl)phenyl]-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone
CID 131691593
ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate
CID 9173331
[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 132777180
(3-methoxy-4-pyridinyl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone
CID 131696996
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 124590225
N-cyclopropyl-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]propanamide
CID 51299638
[(3S)-3-hydroxypyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 79029485
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone
CID 129485960
[4-(methoxymethyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6498957
azepan-1-yl-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]methanone
CID 134029877
[4-(methoxymethyl)phenyl]-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 124949764
azepan-1-yl-[4-(propan-2-yloxymethyl)phenyl]methanone
CID 60646026

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)phenyl]-(5-propan-2-ylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone?
The IUPAC name of [4-(methoxymethyl)phenyl]-(5-propan-2-ylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone (CID 131697176) is [4-(methoxymethyl)phenyl]-(5-propan-2-ylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone.
What is the SMILES notation for [4-(methoxymethyl)phenyl]-(5-propan-2-ylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone?
The canonical SMILES for [4-(methoxymethyl)phenyl]-(5-propan-2-ylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone is COCc1ccc(C(=O)N2CC3(C2)CN(C(C)C)c2nccnc23)cc1.
What is the InChIKey of [4-(methoxymethyl)phenyl]-(5-propan-2-ylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone?
The InChIKey is RRTHSISSTCKNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14(2)24-13-20(17-18(24)22-9-8-21-17)11-23(12-20)19(25)16-6-4-15(5-7-16)10-26-3/h4-9,14H,10-13H2,1-3H3.
What are the key properties of [4-(methoxymethyl)phenyl]-(5-propan-2-ylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone?
[4-(methoxymethyl)phenyl]-(5-propan-2-ylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone has a molecular weight of 352.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)phenyl]-(5-propan-2-ylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone is sourced from PubChem (CID 131697176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).