N-[3-[[2-(dimethylamino)pentanoylamino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide

C22H33N5O2 — CID 166381623

IUPACN-[3-[[2-(dimethylamino)pentanoylamino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCCCC(C(=O)NCC1CC(NC(=O)c2cccn3nccc23)C1(C)C)N(C)C
InChIInChI=1S/C22H33N5O2/c1-6-8-18(26(4)5)21(29)23-14-15-13-19(22(15,2)3)25-20(28)16-9-7-12-27-17(16)10-11-24-27/h7,9-12,15,18-19H,6,8,13-14H2,1-5H3,(H,23,29)(H,25,28)
InChIKeyHVLSGCNCBDFUOJ-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.33
Rot. Bonds8

About N-[3-[[2-(dimethylamino)pentanoylamino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide

N-[3-[[2-(dimethylamino)pentanoylamino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide (PubChem CID 166381623) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[3-[[2-(dimethylamino)pentanoylamino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(dimethylamino)pentanoylamino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
PubChem CID166381623
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC NameN-[3-[[2-(dimethylamino)pentanoylamino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCCCC(C(=O)NCC1CC(NC(=O)c2cccn3nccc23)C1(C)C)N(C)C
InChIInChI=1S/C22H33N5O2/c1-6-8-18(26(4)5)21(29)23-14-15-13-19(22(15,2)3)25-20(28)16-9-7-12-27-17(16)10-11-24-27/h7,9-12,15,18-19H,6,8,13-14H2,1-5H3,(H,23,29)(H,25,28)
InChIKeyHVLSGCNCBDFUOJ-UHFFFAOYSA-N
XLogP2.33
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(dimethylamino)pentanoylamino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[2-(dimethylamino)pentanoylamino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide (CID 166381623) is N-[3-[[2-(dimethylamino)pentanoylamino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[2-(dimethylamino)pentanoylamino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[2-(dimethylamino)pentanoylamino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide is CCCC(C(=O)NCC1CC(NC(=O)c2cccn3nccc23)C1(C)C)N(C)C.
What is the InChIKey of N-[3-[[2-(dimethylamino)pentanoylamino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide?
The InChIKey is HVLSGCNCBDFUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-6-8-18(26(4)5)21(29)23-14-15-13-19(22(15,2)3)25-20(28)16-9-7-12-27-17(16)10-11-24-27/h7,9-12,15,18-19H,6,8,13-14H2,1-5H3,(H,23,29)(H,25,28).
What are the key properties of N-[3-[[2-(dimethylamino)pentanoylamino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide?
N-[3-[[2-(dimethylamino)pentanoylamino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(dimethylamino)pentanoylamino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide is sourced from PubChem (CID 166381623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).