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

C23H27N5O3 — CID 71715692

IUPACN-[[6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1cc(C)n(CC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)n1
InChIInChI=1S/C23H27N5O3/c1-15-9-16(2)28(26-15)14-21(29)27-7-4-23(5-8-27)11-18(23)12-25-22(30)19-10-17-3-6-24-13-20(17)31-19/h3,6,9-10,13,18H,4-5,7-8,11-12,14H2,1-2H3,(H,25,30)
InChIKeyDZBZGQJLLOTQCT-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.70
Rot. Bonds5

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

N-[[6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71715692) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[[6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71715692
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-[[6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1cc(C)n(CC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)n1
InChIInChI=1S/C23H27N5O3/c1-15-9-16(2)28(26-15)14-21(29)27-7-4-23(5-8-27)11-18(23)12-25-22(30)19-10-17-3-6-24-13-20(17)31-19/h3,6,9-10,13,18H,4-5,7-8,11-12,14H2,1-2H3,(H,25,30)
InChIKeyDZBZGQJLLOTQCT-UHFFFAOYSA-N
XLogP2.70
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71715692) is N-[[6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is Cc1cc(C)n(CC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)n1.
What is the InChIKey of N-[[6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is DZBZGQJLLOTQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15-9-16(2)28(26-15)14-21(29)27-7-4-23(5-8-27)11-18(23)12-25-22(30)19-10-17-3-6-24-13-20(17)31-19/h3,6,9-10,13,18H,4-5,7-8,11-12,14H2,1-2H3,(H,25,30).
What are the key properties of N-[[6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71715692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).