N-[[6-[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C25H26N6O4 — CID 90012976

IUPACN-[[6-[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)no1
InChIInChI=1S/C25H26N6O4/c1-15-18(14-30(2)28-15)20-10-19(29-35-20)24(33)31-7-4-25(5-8-31)11-17(25)12-27-23(32)21-9-16-3-6-26-13-22(16)34-21/h3,6,9-10,13-14,17H,4-5,7-8,11-12H2,1-2H3,(H,27,32)
InChIKeyGUADXOYZSQYNNQ-UHFFFAOYSA-N
MW474.52 g/mol
LogP3.20
Rot. Bonds5

About N-[[6-[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 90012976) has the molecular formula C25H26N6O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is N-[[6-[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID90012976
Molecular FormulaC25H26N6O4
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC NameN-[[6-[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)no1
InChIInChI=1S/C25H26N6O4/c1-15-18(14-30(2)28-15)20-10-19(29-35-20)24(33)31-7-4-25(5-8-31)11-17(25)12-27-23(32)21-9-16-3-6-26-13-22(16)34-21/h3,6,9-10,13-14,17H,4-5,7-8,11-12H2,1-2H3,(H,27,32)
InChIKeyGUADXOYZSQYNNQ-UHFFFAOYSA-N
XLogP3.20
TPSA119.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[6-[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 90012976) is N-[[6-[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is Cc1nn(C)cc1-c1cc(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)no1.
What is the InChIKey of N-[[6-[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is GUADXOYZSQYNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4/c1-15-18(14-30(2)28-15)20-10-19(29-35-20)24(33)31-7-4-25(5-8-31)11-17(25)12-27-23(32)21-9-16-3-6-26-13-22(16)34-21/h3,6,9-10,13-14,17H,4-5,7-8,11-12H2,1-2H3,(H,27,32).
What are the key properties of N-[[6-[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 474.52 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90012976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).