[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methoxyphenyl)methanone

C18H19N5O2 — CID 97405315

IUPAC[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2Cc3c(Cn4ccnc4)nn(C)c3C2)c1
InChIInChI=1S/C18H19N5O2/c1-21-17-11-23(18(24)13-4-3-5-14(8-13)25-2)9-15(17)16(20-21)10-22-7-6-19-12-22/h3-8,12H,9-11H2,1-2H3
InChIKeySRQREKRAOMFTEF-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.83
Rot. Bonds4

About [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methoxyphenyl)methanone

[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methoxyphenyl)methanone (PubChem CID 97405315) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methoxyphenyl)methanone
PubChem CID97405315
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2Cc3c(Cn4ccnc4)nn(C)c3C2)c1
InChIInChI=1S/C18H19N5O2/c1-21-17-11-23(18(24)13-4-3-5-14(8-13)25-2)9-15(17)16(20-21)10-22-7-6-19-12-22/h3-8,12H,9-11H2,1-2H3
InChIKeySRQREKRAOMFTEF-UHFFFAOYSA-N
XLogP1.83
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-imidazol-1-yl-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 70787388
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide
CID 24650010
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
3-(imidazol-1-ylmethyl)-1-methyl-5-(1H-pyrrol-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 97405313
1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione
CID 18704760
[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 50944512
1-[6-(3-methoxyphenoxy)hexyl]imidazole
CID 3758429
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
(3-methoxyphenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 90571382
(1-imidazol-1-yl-3-phenoxypropan-2-yl) 3-methoxybenzoate
CID 85078508
6-(3-methoxybenzoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 136529400

Frequently Asked Questions

What is the IUPAC name of [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methoxyphenyl)methanone (CID 97405315) is [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2Cc3c(Cn4ccnc4)nn(C)c3C2)c1.
What is the InChIKey of [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methoxyphenyl)methanone?
The InChIKey is SRQREKRAOMFTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-21-17-11-23(18(24)13-4-3-5-14(8-13)25-2)9-15(17)16(20-21)10-22-7-6-19-12-22/h3-8,12H,9-11H2,1-2H3.
What are the key properties of [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methoxyphenyl)methanone?
[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methoxyphenyl)methanone has a molecular weight of 337.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 97405315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).