(2R)-2-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid

C18H26N4O3 — CID 119363231

IUPAC(2R)-2-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCCC(C)n1ncc2c(C(=O)N[C@H](CC(C)C)C(=O)O)cc(C)nc21
InChIInChI=1S/C18H26N4O3/c1-6-12(5)22-16-14(9-19-22)13(8-11(4)20-16)17(23)21-15(18(24)25)7-10(2)3/h8-10,12,15H,6-7H2,1-5H3,(H,21,23)(H,24,25)/t12?,15-/m1/s1
InChIKeyXVOOARYXUTYXCG-WPZCJLIBSA-N
MW346.43 g/mol
LogP2.94
Rot. Bonds7

About (2R)-2-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid

(2R)-2-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 119363231) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2R)-2-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
PubChem CID119363231
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(2R)-2-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCCC(C)n1ncc2c(C(=O)N[C@H](CC(C)C)C(=O)O)cc(C)nc21
InChIInChI=1S/C18H26N4O3/c1-6-12(5)22-16-14(9-19-22)13(8-11(4)20-16)17(23)21-15(18(24)25)7-10(2)3/h8-10,12,15H,6-7H2,1-5H3,(H,21,23)(H,24,25)/t12?,15-/m1/s1
InChIKeyXVOOARYXUTYXCG-WPZCJLIBSA-N
XLogP2.94
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid (CID 119363231) is (2R)-2-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid is CCC(C)n1ncc2c(C(=O)N[C@H](CC(C)C)C(=O)O)cc(C)nc21.
What is the InChIKey of (2R)-2-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is XVOOARYXUTYXCG-WPZCJLIBSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-6-12(5)22-16-14(9-19-22)13(8-11(4)20-16)17(23)21-15(18(24)25)7-10(2)3/h8-10,12,15H,6-7H2,1-5H3,(H,21,23)(H,24,25)/t12?,15-/m1/s1.
What are the key properties of (2R)-2-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid?
(2R)-2-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 346.43 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 119363231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).