(2R)-2-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid

C20H30N4O3 — CID 119368591

IUPAC(2R)-2-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
SMILESCc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N[C@@H](C(=O)O)C(C)C)c12
InChIInChI=1S/C20H30N4O3/c1-10(2)14-9-13(18(25)22-16(11(3)4)19(26)27)15-12(5)23-24(17(15)21-14)20(6,7)8/h9-11,16H,1-8H3,(H,22,25)(H,26,27)/t16-/m1/s1
InChIKeyQJOSXITWDFODRP-MRXNPFEDSA-N
MW374.49 g/mol
LogP3.46
Rot. Bonds5

About (2R)-2-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid

(2R)-2-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 119368591) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is (2R)-2-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
PubChem CID119368591
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name(2R)-2-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
SMILESCc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N[C@@H](C(=O)O)C(C)C)c12
InChIInChI=1S/C20H30N4O3/c1-10(2)14-9-13(18(25)22-16(11(3)4)19(26)27)15-12(5)23-24(17(15)21-14)20(6,7)8/h9-11,16H,1-8H3,(H,22,25)(H,26,27)/t16-/m1/s1
InChIKeyQJOSXITWDFODRP-MRXNPFEDSA-N
XLogP3.46
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119359811
N-(2-amino-2-methylpropyl)-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119628648
1-tert-butyl-3-methyl-6-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 78884878
1-tert-butyl-3-methyl-6-propan-2-yl-N-quinolin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55756234
6-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoic acid
CID 119352167
1-tert-butyl-N-[2-(ethylamino)ethyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119507495
N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119574445
N-[1-(aminomethyl)cyclopentyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119566977
1-tert-butyl-3-methyl-6-propan-2-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55852166
1-tert-butyl-3-methyl-6-propan-2-yl-N-[4-(thiadiazol-4-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55985444
1-tert-butyl-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 109388394
1-tert-butyl-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60516251

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid (CID 119368591) is (2R)-2-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid is Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N[C@@H](C(=O)O)C(C)C)c12.
What is the InChIKey of (2R)-2-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is QJOSXITWDFODRP-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-10(2)14-9-13(18(25)22-16(11(3)4)19(26)27)15-12(5)23-24(17(15)21-14)20(6,7)8/h9-11,16H,1-8H3,(H,22,25)(H,26,27)/t16-/m1/s1.
What are the key properties of (2R)-2-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid?
(2R)-2-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 374.49 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 119368591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).