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

C19H29N5O2 — CID 10316425

IUPACN-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]cyclobutanecarboxamide
SMILESCN1CCC(C(=O)N2Cc3c(NC(=O)C4CCC4)n[nH]c3C2(C)C)CC1
InChIInChI=1S/C19H29N5O2/c1-19(2)15-14(16(22-21-15)20-17(25)12-5-4-6-12)11-24(19)18(26)13-7-9-23(3)10-8-13/h12-13H,4-11H2,1-3H3,(H2,20,21,22,25)
InChIKeyWDHVWMXOJHHBQJ-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.07
Rot. Bonds3

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

N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]cyclobutanecarboxamide (PubChem CID 10316425) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]cyclobutanecarboxamide
PubChem CID10316425
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC NameN-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]cyclobutanecarboxamide
SMILESCN1CCC(C(=O)N2Cc3c(NC(=O)C4CCC4)n[nH]c3C2(C)C)CC1
InChIInChI=1S/C19H29N5O2/c1-19(2)15-14(16(22-21-15)20-17(25)12-5-4-6-12)11-24(19)18(26)13-7-9-23(3)10-8-13/h12-13H,4-11H2,1-3H3,(H2,20,21,22,25)
InChIKeyWDHVWMXOJHHBQJ-UHFFFAOYSA-N
XLogP2.07
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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]cyclobutanecarboxamide?
The IUPAC name of N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]cyclobutanecarboxamide (CID 10316425) is N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]cyclobutanecarboxamide is CN1CCC(C(=O)N2Cc3c(NC(=O)C4CCC4)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]cyclobutanecarboxamide?
The InChIKey is WDHVWMXOJHHBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-19(2)15-14(16(22-21-15)20-17(25)12-5-4-6-12)11-24(19)18(26)13-7-9-23(3)10-8-13/h12-13H,4-11H2,1-3H3,(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]cyclobutanecarboxamide?
N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]cyclobutanecarboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 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]cyclobutanecarboxamide is sourced from PubChem (CID 10316425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).