4-(4-methylpiperazin-1-yl)-N-[5-(2-naphthalen-1-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide

C29H30N6O2 — CID 71654818

IUPAC4-(4-methylpiperazin-1-yl)-N-[5-(2-naphthalen-1-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(C(=O)Cc3cccc5ccccc35)C4)cc2)CC1
InChIInChI=1S/C29H30N6O2/c1-33-13-15-34(16-14-33)23-11-9-21(10-12-23)29(37)30-28-25-18-35(19-26(25)31-32-28)27(36)17-22-7-4-6-20-5-2-3-8-24(20)22/h2-12H,13-19H2,1H3,(H2,30,31,32,37)
InChIKeyFNZJXWNYPHHXPN-UHFFFAOYSA-N
MW494.60 g/mol
LogP3.65
Rot. Bonds5

About 4-(4-methylpiperazin-1-yl)-N-[5-(2-naphthalen-1-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide

4-(4-methylpiperazin-1-yl)-N-[5-(2-naphthalen-1-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide (PubChem CID 71654818) has the molecular formula C29H30N6O2 and a molecular weight of 494.60 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-[5-(2-naphthalen-1-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-[5-(2-naphthalen-1-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
PubChem CID71654818
Molecular FormulaC29H30N6O2
Molecular Weight494.60 g/mol
Exact Mass494.24
IUPAC Name4-(4-methylpiperazin-1-yl)-N-[5-(2-naphthalen-1-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(C(=O)Cc3cccc5ccccc35)C4)cc2)CC1
InChIInChI=1S/C29H30N6O2/c1-33-13-15-34(16-14-33)23-11-9-21(10-12-23)29(37)30-28-25-18-35(19-26(25)31-32-28)27(36)17-22-7-4-6-20-5-2-3-8-24(20)22/h2-12H,13-19H2,1H3,(H2,30,31,32,37)
InChIKeyFNZJXWNYPHHXPN-UHFFFAOYSA-N
XLogP3.65
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylpiperazin-1-yl)-N-[5-[2-(2,3,5-trifluorophenyl)acetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 71654881
4-(4-fluoropiperidin-1-yl)-N-[5-[(2R)-2-phenylpropanoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 11167110
N-[5-(2-fluorophenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 24752029
N-[5-[2-(2,3-difluorophenyl)acetyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 24946777
N-[5-[(2R)-2-methoxy-2-phenyl-1H-azet-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 122452850
4-(4-methylpiperazin-1-yl)-N-(5-quinolin-8-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)benzamide
CID 24748175
N-[5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 24748071
N-[5-(3-chlorothiophen-2-yl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 24751470
N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 11454872
4-(4-methylpiperazin-1-yl)-N-[6-(2-phenoxyethoxy)-1H-indazol-3-yl]benzamide
CID 70982216
3-benzamido-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
CID 71477723
4-(4-tert-butylpiperazin-1-yl)-N-[5-(3-fluorophenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 68989242

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-[5-(2-naphthalen-1-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-[5-(2-naphthalen-1-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide (CID 71654818) is 4-(4-methylpiperazin-1-yl)-N-[5-(2-naphthalen-1-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-[5-(2-naphthalen-1-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-[5-(2-naphthalen-1-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide is CN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(C(=O)Cc3cccc5ccccc35)C4)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-[5-(2-naphthalen-1-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide?
The InChIKey is FNZJXWNYPHHXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2/c1-33-13-15-34(16-14-33)23-11-9-21(10-12-23)29(37)30-28-25-18-35(19-26(25)31-32-28)27(36)17-22-7-4-6-20-5-2-3-8-24(20)22/h2-12H,13-19H2,1H3,(H2,30,31,32,37).
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-[5-(2-naphthalen-1-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide?
4-(4-methylpiperazin-1-yl)-N-[5-(2-naphthalen-1-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide has a molecular weight of 494.60 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-[5-(2-naphthalen-1-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide is sourced from PubChem (CID 71654818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).