5-[(1-methylimidazol-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole

C16H18N6O — CID 97410203

IUPAC5-[(1-methylimidazol-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
SMILESCn1ccnc1CN1Cc2[nH]nc(COc3cccnc3)c2C1
InChIInChI=1S/C16H18N6O/c1-21-6-5-18-16(21)10-22-8-13-14(9-22)19-20-15(13)11-23-12-3-2-4-17-7-12/h2-7H,8-11H2,1H3,(H,19,20)
InChIKeyAXNLWMJXJXGXJZ-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.63
Rot. Bonds5

About 5-[(1-methylimidazol-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole

5-[(1-methylimidazol-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole (PubChem CID 97410203) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-[(1-methylimidazol-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name5-[(1-methylimidazol-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
PubChem CID97410203
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name5-[(1-methylimidazol-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
SMILESCn1ccnc1CN1Cc2[nH]nc(COc3cccnc3)c2C1
InChIInChI=1S/C16H18N6O/c1-21-6-5-18-16(21)10-22-8-13-14(9-22)19-20-15(13)11-23-12-3-2-4-17-7-12/h2-7H,8-11H2,1H3,(H,19,20)
InChIKeyAXNLWMJXJXGXJZ-UHFFFAOYSA-N
XLogP1.63
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97461963
2-[1-[3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]cyclobutyl]acetic acid
CID 131684879
5-methyl-3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82585612
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-6-pyridin-3-yloxypyrazine
CID 95844018
1-[(1-methylimidazol-2-yl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperazine
CID 75470884
1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120754417
(3aS,5R,7aS)-1-[(1-methylimidazol-2-yl)methyl]-5-(pyridin-3-yloxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97461216
N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97461839
[9-[(1-methylimidazol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyridin-3-ylmethanone
CID 97450387
3-[(1-methyl-4,5-dihydroimidazol-2-yl)methoxy]pyridine
CID 10375291
4-[2-(1-methylimidazol-2-yl)ethoxy]phenol
CID 114528497
(4R)-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469769

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylimidazol-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The IUPAC name of 5-[(1-methylimidazol-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole (CID 97410203) is 5-[(1-methylimidazol-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 5-[(1-methylimidazol-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The canonical SMILES for 5-[(1-methylimidazol-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole is Cn1ccnc1CN1Cc2[nH]nc(COc3cccnc3)c2C1.
What is the InChIKey of 5-[(1-methylimidazol-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The InChIKey is AXNLWMJXJXGXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-21-6-5-18-16(21)10-22-8-13-14(9-22)19-20-15(13)11-23-12-3-2-4-17-7-12/h2-7H,8-11H2,1H3,(H,19,20).
What are the key properties of 5-[(1-methylimidazol-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
5-[(1-methylimidazol-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole has a molecular weight of 310.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylimidazol-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 97410203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).