5-[(3-methoxyphenyl)methyl]-3-(piperidin-1-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole

C22H32N4O — CID 155877755

IUPAC5-[(3-methoxyphenyl)methyl]-3-(piperidin-1-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCOc1cccc(CN2Cc3c(CN4CCCCC4)nn(C(C)C)c3C2)c1
InChIInChI=1S/C22H32N4O/c1-17(2)26-22-16-25(13-18-8-7-9-19(12-18)27-3)14-20(22)21(23-26)15-24-10-5-4-6-11-24/h7-9,12,17H,4-6,10-11,13-16H2,1-3H3
InChIKeyCQUXZEOGAGYKRE-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.97
Rot. Bonds6

About 5-[(3-methoxyphenyl)methyl]-3-(piperidin-1-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole

5-[(3-methoxyphenyl)methyl]-3-(piperidin-1-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole (PubChem CID 155877755) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methyl]-3-(piperidin-1-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methyl]-3-(piperidin-1-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole
PubChem CID155877755
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name5-[(3-methoxyphenyl)methyl]-3-(piperidin-1-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCOc1cccc(CN2Cc3c(CN4CCCCC4)nn(C(C)C)c3C2)c1
InChIInChI=1S/C22H32N4O/c1-17(2)26-22-16-25(13-18-8-7-9-19(12-18)27-3)14-20(22)21(23-26)15-24-10-5-4-6-11-24/h7-9,12,17H,4-6,10-11,13-16H2,1-3H3
InChIKeyCQUXZEOGAGYKRE-UHFFFAOYSA-N
XLogP3.97
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
CID 174819320
6-[(3,4-difluorophenyl)methyl]-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 155875507
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
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4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
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CID 110201407
(2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
CID 143915546
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 166149452
4-[(3-methoxyphenyl)methyl]thiomorpholine
CID 763908
1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid
CID 17366637
1-[(3-methoxyphenyl)methyl]-3-propan-2-yl-1,4-diazepane
CID 64858406
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 22195001
2-[(3-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370268

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methyl]-3-(piperidin-1-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 5-[(3-methoxyphenyl)methyl]-3-(piperidin-1-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole (CID 155877755) is 5-[(3-methoxyphenyl)methyl]-3-(piperidin-1-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 5-[(3-methoxyphenyl)methyl]-3-(piperidin-1-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 5-[(3-methoxyphenyl)methyl]-3-(piperidin-1-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole is COc1cccc(CN2Cc3c(CN4CCCCC4)nn(C(C)C)c3C2)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methyl]-3-(piperidin-1-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The InChIKey is CQUXZEOGAGYKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-17(2)26-22-16-25(13-18-8-7-9-19(12-18)27-3)14-20(22)21(23-26)15-24-10-5-4-6-11-24/h7-9,12,17H,4-6,10-11,13-16H2,1-3H3.
What are the key properties of 5-[(3-methoxyphenyl)methyl]-3-(piperidin-1-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole?
5-[(3-methoxyphenyl)methyl]-3-(piperidin-1-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole has a molecular weight of 368.53 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methyl]-3-(piperidin-1-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 155877755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).