N-[5-(6,8-dimethyl-6,9-diazaspiro[4.5]decane-9-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;ethane

C26H39N7O2 — CID 145493427

IUPACN-[5-(6,8-dimethyl-6,9-diazaspiro[4.5]decane-9-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;ethane
SMILESCC.CC1CN(C)C2(CCCC2)CN1C(=O)N1Cc2c(NC(=O)c3ccccn3)n[nH]c2C1(C)C
InChIInChI=1S/C24H33N7O2.C2H6/c1-16-13-29(4)24(10-6-7-11-24)15-30(16)22(33)31-14-17-19(23(31,2)3)27-28-20(17)26-21(32)18-9-5-8-12-25-18;1-2/h5,8-9,12,16H,6-7,10-11,13-15H2,1-4H3,(H2,26,27,28,32);1-2H3
InChIKeyQXIWKITVSQLOBZ-UHFFFAOYSA-N
MW481.65 g/mol
LogP4.20
Rot. Bonds2

About N-[5-(6,8-dimethyl-6,9-diazaspiro[4.5]decane-9-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;ethane

N-[5-(6,8-dimethyl-6,9-diazaspiro[4.5]decane-9-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;ethane (PubChem CID 145493427) has the molecular formula C26H39N7O2 and a molecular weight of 481.65 g/mol. Its IUPAC name is N-[5-(6,8-dimethyl-6,9-diazaspiro[4.5]decane-9-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;ethane.

Molecular Properties

Compound NameN-[5-(6,8-dimethyl-6,9-diazaspiro[4.5]decane-9-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;ethane
PubChem CID145493427
Molecular FormulaC26H39N7O2
Molecular Weight481.65 g/mol
Exact Mass481.32
IUPAC NameN-[5-(6,8-dimethyl-6,9-diazaspiro[4.5]decane-9-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;ethane
SMILESCC.CC1CN(C)C2(CCCC2)CN1C(=O)N1Cc2c(NC(=O)c3ccccn3)n[nH]c2C1(C)C
InChIInChI=1S/C24H33N7O2.C2H6/c1-16-13-29(4)24(10-6-7-11-24)15-30(16)22(33)31-14-17-19(23(31,2)3)27-28-20(17)26-21(32)18-9-5-8-12-25-18;1-2/h5,8-9,12,16H,6-7,10-11,13-15H2,1-4H3,(H2,26,27,28,32);1-2H3
InChIKeyQXIWKITVSQLOBZ-UHFFFAOYSA-N
XLogP4.20
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.65
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(6,8-dimethyl-6,9-diazaspiro[4.5]decane-9-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6,8-dimethyl-6,9-diazaspiro[4.5]decane-9-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;ethane?
The IUPAC name of N-[5-(6,8-dimethyl-6,9-diazaspiro[4.5]decane-9-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;ethane (CID 145493427) is N-[5-(6,8-dimethyl-6,9-diazaspiro[4.5]decane-9-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;ethane.
What is the SMILES notation for N-[5-(6,8-dimethyl-6,9-diazaspiro[4.5]decane-9-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;ethane?
The canonical SMILES for N-[5-(6,8-dimethyl-6,9-diazaspiro[4.5]decane-9-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;ethane is CC.CC1CN(C)C2(CCCC2)CN1C(=O)N1Cc2c(NC(=O)c3ccccn3)n[nH]c2C1(C)C.
What is the InChIKey of N-[5-(6,8-dimethyl-6,9-diazaspiro[4.5]decane-9-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;ethane?
The InChIKey is QXIWKITVSQLOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O2.C2H6/c1-16-13-29(4)24(10-6-7-11-24)15-30(16)22(33)31-14-17-19(23(31,2)3)27-28-20(17)26-21(32)18-9-5-8-12-25-18;1-2/h5,8-9,12,16H,6-7,10-11,13-15H2,1-4H3,(H2,26,27,28,32);1-2H3.
What are the key properties of N-[5-(6,8-dimethyl-6,9-diazaspiro[4.5]decane-9-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;ethane?
N-[5-(6,8-dimethyl-6,9-diazaspiro[4.5]decane-9-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;ethane has a molecular weight of 481.65 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6,8-dimethyl-6,9-diazaspiro[4.5]decane-9-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;ethane is sourced from PubChem (CID 145493427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).