N-[6,6-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-fluorobenzamide

C21H26FN5O2 — CID 10408632

IUPACN-[6,6-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-fluorobenzamide
SMILESCC1CCN(C(=O)N2Cc3c(NC(=O)c4cccc(F)c4)n[nH]c3C2(C)C)CC1
InChIInChI=1S/C21H26FN5O2/c1-13-7-9-26(10-8-13)20(29)27-12-16-17(21(27,2)3)24-25-18(16)23-19(28)14-5-4-6-15(22)11-14/h4-6,11,13H,7-10,12H2,1-3H3,(H2,23,24,25,28)
InChIKeyHTTARIJSPIAMHO-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.70
Rot. Bonds2

About N-[6,6-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-fluorobenzamide

N-[6,6-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-fluorobenzamide (PubChem CID 10408632) has the molecular formula C21H26FN5O2 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[6,6-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-fluorobenzamide
PubChem CID10408632
Molecular FormulaC21H26FN5O2
Molecular Weight399.47 g/mol
Exact Mass399.21
IUPAC NameN-[6,6-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-fluorobenzamide
SMILESCC1CCN(C(=O)N2Cc3c(NC(=O)c4cccc(F)c4)n[nH]c3C2(C)C)CC1
InChIInChI=1S/C21H26FN5O2/c1-13-7-9-26(10-8-13)20(29)27-12-16-17(21(27,2)3)24-25-18(16)23-19(28)14-5-4-6-15(22)11-14/h4-6,11,13H,7-10,12H2,1-3H3,(H2,23,24,25,28)
InChIKeyHTTARIJSPIAMHO-UHFFFAOYSA-N
XLogP3.70
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(4-aminopiperidine-1-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3,5-difluorobenzamide
CID 10093469
N-[6,6-dimethyl-5-(piperidine-1-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-fluorobenzamide
CID 10407738
N-[5-[2-(2,6-difluorophenyl)acetyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-fluorobenzamide
CID 24948073
N-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 59508127
N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3,5-difluorobenzamide
CID 46228562
N-[6,6-dimethyl-5-[(3R)-3-methylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 10321515
N-[5-(3-fluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-morpholin-4-ylbenzamide
CID 24751046
tert-butyl 3-[(3-fluorobenzoyl)amino]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 110476693
N-[5-[2-(2,6-difluorophenyl)acetyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide
CID 24948259
N-[5-[2-(2,6-difluorophenyl)acetyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-methoxybenzamide
CID 24948258
4-N-[5-[(2,6-dichlorophenyl)carbamoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-N-(1-methylpiperidin-4-yl)benzene-1,4-dicarboxamide
CID 24948453
1-N-[5-[(2,6-dichlorophenyl)carbamoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 24948455

Frequently Asked Questions

What is the IUPAC name of N-[6,6-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-fluorobenzamide?
The IUPAC name of N-[6,6-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-fluorobenzamide (CID 10408632) is N-[6,6-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[6,6-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-fluorobenzamide?
The canonical SMILES for N-[6,6-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-fluorobenzamide is CC1CCN(C(=O)N2Cc3c(NC(=O)c4cccc(F)c4)n[nH]c3C2(C)C)CC1.
What is the InChIKey of N-[6,6-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-fluorobenzamide?
The InChIKey is HTTARIJSPIAMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O2/c1-13-7-9-26(10-8-13)20(29)27-12-16-17(21(27,2)3)24-25-18(16)23-19(28)14-5-4-6-15(22)11-14/h4-6,11,13H,7-10,12H2,1-3H3,(H2,23,24,25,28).
What are the key properties of N-[6,6-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-fluorobenzamide?
N-[6,6-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-fluorobenzamide has a molecular weight of 399.47 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,6-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-fluorobenzamide is sourced from PubChem (CID 10408632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).