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

C20H24FN5O2 — CID 46228467

IUPACN-[6,6-dimethyl-5-(piperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-fluorobenzamide
SMILESCC1(C)c2[nH]nc(NC(=O)c3ccc(F)cc3)c2CN1C(=O)C1CCNCC1
InChIInChI=1S/C20H24FN5O2/c1-20(2)16-15(11-26(20)19(28)13-7-9-22-10-8-13)17(25-24-16)23-18(27)12-3-5-14(21)6-4-12/h3-6,13,22H,7-11H2,1-2H3,(H2,23,24,25,27)
InChIKeyCDEIEGNYDSWLCD-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.38
Rot. Bonds3

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

N-[6,6-dimethyl-5-(piperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-fluorobenzamide (PubChem CID 46228467) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is N-[6,6-dimethyl-5-(piperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-5-(piperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-fluorobenzamide
PubChem CID46228467
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC NameN-[6,6-dimethyl-5-(piperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-fluorobenzamide
SMILESCC1(C)c2[nH]nc(NC(=O)c3ccc(F)cc3)c2CN1C(=O)C1CCNCC1
InChIInChI=1S/C20H24FN5O2/c1-20(2)16-15(11-26(20)19(28)13-7-9-22-10-8-13)17(25-24-16)23-18(27)12-3-5-14(21)6-4-12/h3-6,13,22H,7-11H2,1-2H3,(H2,23,24,25,27)
InChIKeyCDEIEGNYDSWLCD-UHFFFAOYSA-N
XLogP2.38
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6,6-dimethyl-5-(piperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-fluorobenzamide?
The IUPAC name of N-[6,6-dimethyl-5-(piperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-fluorobenzamide (CID 46228467) is N-[6,6-dimethyl-5-(piperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[6,6-dimethyl-5-(piperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-fluorobenzamide?
The canonical SMILES for N-[6,6-dimethyl-5-(piperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-fluorobenzamide is CC1(C)c2[nH]nc(NC(=O)c3ccc(F)cc3)c2CN1C(=O)C1CCNCC1.
What is the InChIKey of N-[6,6-dimethyl-5-(piperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-fluorobenzamide?
The InChIKey is CDEIEGNYDSWLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-20(2)16-15(11-26(20)19(28)13-7-9-22-10-8-13)17(25-24-16)23-18(27)12-3-5-14(21)6-4-12/h3-6,13,22H,7-11H2,1-2H3,(H2,23,24,25,27).
What are the key properties of N-[6,6-dimethyl-5-(piperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-fluorobenzamide?
N-[6,6-dimethyl-5-(piperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-fluorobenzamide has a molecular weight of 385.44 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,6-dimethyl-5-(piperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 46228467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).