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

C19H25N5O3 — CID 54582956

IUPACN-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide
SMILESCN1CCC(C(=O)N2Cc3c(NC(=O)c4ccco4)n[nH]c3C2(C)C)CC1
InChIInChI=1S/C19H25N5O3/c1-19(2)15-13(11-24(19)18(26)12-6-8-23(3)9-7-12)16(22-21-15)20-17(25)14-5-4-10-27-14/h4-5,10,12H,6-9,11H2,1-3H3,(H2,20,21,22,25)
InChIKeyJKLNMYJBWWAZSO-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.17
Rot. Bonds3

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

N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide (PubChem CID 54582956) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide
PubChem CID54582956
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide
SMILESCN1CCC(C(=O)N2Cc3c(NC(=O)c4ccco4)n[nH]c3C2(C)C)CC1
InChIInChI=1S/C19H25N5O3/c1-19(2)15-13(11-24(19)18(26)12-6-8-23(3)9-7-12)16(22-21-15)20-17(25)14-5-4-10-27-14/h4-5,10,12H,6-9,11H2,1-3H3,(H2,20,21,22,25)
InChIKeyJKLNMYJBWWAZSO-UHFFFAOYSA-N
XLogP2.17
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[5-(furan-2-carbonyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]benzamide
CID 10156505
N-[5-(furan-2-ylcarbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 11384622
N-[5-[(2S)-2-benzyl-4-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-benzofuran-2-carboxamide
CID 59508241
N-[5-[(2S,5R)-4-(3-methoxypropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3,5-dimethylfuran-2-carboxamide
CID 69790059
N-[5-[(2S)-2-hydroxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide
CID 46911329
N-[5-[(2S)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide
CID 49798212
N-[5-(4-methylbenzoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide
CID 49798213
N-[5-(furan-2-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]naphthalene-2-carboxamide
CID 49798234
(3-Methylfuran-2-yl)-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
CID 97405331
N-(2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)furan-2-carboxamide
CID 30859093
2-(4-(3-(4-(furan-2-carbonyl)piperazin-1-yl)-3-oxopropyl)-3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4(3H)-one
CID 135885883
3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide
CID 47404893

Frequently Asked Questions

What is the IUPAC name of N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide (CID 54582956) is N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide is CN1CCC(C(=O)N2Cc3c(NC(=O)c4ccco4)n[nH]c3C2(C)C)CC1.
What is the InChIKey of N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide?
The InChIKey is JKLNMYJBWWAZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-19(2)15-13(11-24(19)18(26)12-6-8-23(3)9-7-12)16(22-21-15)20-17(25)14-5-4-10-27-14/h4-5,10,12H,6-9,11H2,1-3H3,(H2,20,21,22,25).
What are the key properties of N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide?
N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 54582956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).