N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-methylpiperidine-4-carboxamide

C19H31N5O2 — CID 46228465

IUPACN-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2n[nH]c3c2CN(C(=O)C(C)(C)C)C3(C)C)CC1
InChIInChI=1S/C19H31N5O2/c1-18(2,3)17(26)24-11-13-14(19(24,4)5)21-22-15(13)20-16(25)12-7-9-23(6)10-8-12/h12H,7-11H2,1-6H3,(H2,20,21,22,25)
InChIKeyDHJHGYYBWIWMJK-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.31
Rot. Bonds2

About N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-methylpiperidine-4-carboxamide

N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 46228465) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-methylpiperidine-4-carboxamide
PubChem CID46228465
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2n[nH]c3c2CN(C(=O)C(C)(C)C)C3(C)C)CC1
InChIInChI=1S/C19H31N5O2/c1-18(2,3)17(26)24-11-13-14(19(24,4)5)21-22-15(13)20-16(25)12-7-9-23(6)10-8-12/h12H,7-11H2,1-6H3,(H2,20,21,22,25)
InChIKeyDHJHGYYBWIWMJK-UHFFFAOYSA-N
XLogP2.31
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pha-793887
CID 46191454
N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]cyclobutanecarboxamide
CID 10316425
1-[6,6-Dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-propylurea
CID 10428750
N-[5-(1-cyclopropylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide
CID 54583952
N-[5-(1-ethylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide
CID 54586825
N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]piperidine-4-carboxamide
CID 46228464
2-(dimethylamino)-N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]acetamide
CID 46228466
N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]cyclopropanecarboxamide
CID 54580960
N-[6,6-dimethyl-5-(1-methylpiperidin-1-ium-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide
CID 72199457
(3-Amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(4-fluoro-1-methylpiperidin-4-yl)methanone
CID 59333909
(3-Amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(1-cyclobutyl-4-fluoropiperidin-4-yl)methanone
CID 67491700
PHA-793887 hydrochloride
CID 72941850

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-methylpiperidine-4-carboxamide (CID 46228465) is N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2n[nH]c3c2CN(C(=O)C(C)(C)C)C3(C)C)CC1.
What is the InChIKey of N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-methylpiperidine-4-carboxamide?
The InChIKey is DHJHGYYBWIWMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-18(2,3)17(26)24-11-13-14(19(24,4)5)21-22-15(13)20-16(25)12-7-9-23(6)10-8-12/h12H,7-11H2,1-6H3,(H2,20,21,22,25).
What are the key properties of N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-methylpiperidine-4-carboxamide?
N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 46228465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).