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

C18H23N5O2 — CID 46228443

IUPACN-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide
SMILESCC(C)(C)C(=O)N1Cc2c(NC(=O)c3ccncc3)n[nH]c2C1(C)C
InChIInChI=1S/C18H23N5O2/c1-17(2,3)16(25)23-10-12-13(18(23,4)5)21-22-14(12)20-15(24)11-6-8-19-9-7-11/h6-9H,10H2,1-5H3,(H2,20,21,22,24)
InChIKeyITHULDOZQFKWFX-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.68
Rot. Bonds2

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

N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide (PubChem CID 46228443) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide
PubChem CID46228443
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide
SMILESCC(C)(C)C(=O)N1Cc2c(NC(=O)c3ccncc3)n[nH]c2C1(C)C
InChIInChI=1S/C18H23N5O2/c1-17(2,3)16(25)23-10-12-13(18(23,4)5)21-22-14(12)20-15(24)11-6-8-19-9-7-11/h6-9H,10H2,1-5H3,(H2,20,21,22,24)
InChIKeyITHULDOZQFKWFX-UHFFFAOYSA-N
XLogP2.68
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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]pyridine-4-carboxamide?
The IUPAC name of N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide (CID 46228443) is N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-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]pyridine-4-carboxamide?
The canonical SMILES for N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide is CC(C)(C)C(=O)N1Cc2c(NC(=O)c3ccncc3)n[nH]c2C1(C)C.
What is the InChIKey of N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide?
The InChIKey is ITHULDOZQFKWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-17(2,3)16(25)23-10-12-13(18(23,4)5)21-22-14(12)20-15(24)11-6-8-19-9-7-11/h6-9H,10H2,1-5H3,(H2,20,21,22,24).
What are the key properties of N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide?
N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.68, 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]pyridine-4-carboxamide is sourced from PubChem (CID 46228443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).