2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid

C20H28N4O4 — CID 120701970

IUPAC2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C)C(=O)O
InChIInChI=1S/C20H28N4O4/c1-11-16-13(18(25)22-14(19(26)27)8-9-28-5)10-15(12-6-7-12)21-17(16)24(23-11)20(2,3)4/h10,12,14H,6-9H2,1-5H3,(H,22,25)(H,26,27)
InChIKeyYOPFJWFKFHIBIT-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.59
Rot. Bonds7

About 2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid

2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid (PubChem CID 120701970) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid
PubChem CID120701970
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C)C(=O)O
InChIInChI=1S/C20H28N4O4/c1-11-16-13(18(25)22-14(19(26)27)8-9-28-5)10-15(12-6-7-12)21-17(16)24(23-11)20(2,3)4/h10,12,14H,6-9H2,1-5H3,(H,22,25)(H,26,27)
InChIKeyYOPFJWFKFHIBIT-UHFFFAOYSA-N
XLogP2.59
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid (CID 120701970) is 2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid is COCCC(NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid?
The InChIKey is YOPFJWFKFHIBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-11-16-13(18(25)22-14(19(26)27)8-9-28-5)10-15(12-6-7-12)21-17(16)24(23-11)20(2,3)4/h10,12,14H,6-9H2,1-5H3,(H,22,25)(H,26,27).
What are the key properties of 2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid?
2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid has a molecular weight of 388.47 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 120701970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).