N-[2,2-dimethyl-3-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C21H28N4O4 — CID 166381715

IUPACN-[2,2-dimethyl-3-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC1(CC(=O)NCC2CC(NC(=O)c3cnn4ccccc34)C2(C)C)OCCO1
InChIInChI=1S/C21H28N4O4/c1-20(2)14(12-22-18(26)11-21(3)28-8-9-29-21)10-17(20)24-19(27)15-13-23-25-7-5-4-6-16(15)25/h4-7,13-14,17H,8-12H2,1-3H3,(H,22,26)(H,24,27)
InChIKeyHSOTWIMQLQFRIA-UHFFFAOYSA-N
MW400.48 g/mol
LogP1.75
Rot. Bonds6

About N-[2,2-dimethyl-3-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-[2,2-dimethyl-3-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 166381715) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID166381715
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC NameN-[2,2-dimethyl-3-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC1(CC(=O)NCC2CC(NC(=O)c3cnn4ccccc34)C2(C)C)OCCO1
InChIInChI=1S/C21H28N4O4/c1-20(2)14(12-22-18(26)11-21(3)28-8-9-29-21)10-17(20)24-19(27)15-13-23-25-7-5-4-6-16(15)25/h4-7,13-14,17H,8-12H2,1-3H3,(H,22,26)(H,24,27)
InChIKeyHSOTWIMQLQFRIA-UHFFFAOYSA-N
XLogP1.75
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[2,2-dimethyl-3-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 166381715) is N-[2,2-dimethyl-3-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2,2-dimethyl-3-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2,2-dimethyl-3-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-3-carboxamide is CC1(CC(=O)NCC2CC(NC(=O)c3cnn4ccccc34)C2(C)C)OCCO1.
What is the InChIKey of N-[2,2-dimethyl-3-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is HSOTWIMQLQFRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-20(2)14(12-22-18(26)11-21(3)28-8-9-29-21)10-17(20)24-19(27)15-13-23-25-7-5-4-6-16(15)25/h4-7,13-14,17H,8-12H2,1-3H3,(H,22,26)(H,24,27).
What are the key properties of N-[2,2-dimethyl-3-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[2,2-dimethyl-3-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]amino]methyl]cyclobutyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 166381715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).