5-phenyl-4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pentanoic acid

C21H24N4O3 — CID 120547250

IUPAC5-phenyl-4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pentanoic acid
SMILESCC(C)n1ncc2cc(C(=O)NC(CCC(=O)O)Cc3ccccc3)cnc21
InChIInChI=1S/C21H24N4O3/c1-14(2)25-20-16(13-23-25)11-17(12-22-20)21(28)24-18(8-9-19(26)27)10-15-6-4-3-5-7-15/h3-7,11-14,18H,8-10H2,1-2H3,(H,24,28)(H,26,27)
InChIKeyVZLOUTQZUFFRFR-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.22
Rot. Bonds8

About 5-phenyl-4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pentanoic acid

5-phenyl-4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pentanoic acid (PubChem CID 120547250) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-phenyl-4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pentanoic acid
PubChem CID120547250
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name5-phenyl-4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pentanoic acid
SMILESCC(C)n1ncc2cc(C(=O)NC(CCC(=O)O)Cc3ccccc3)cnc21
InChIInChI=1S/C21H24N4O3/c1-14(2)25-20-16(13-23-25)11-17(12-22-20)21(28)24-18(8-9-19(26)27)10-15-6-4-3-5-7-15/h3-7,11-14,18H,8-10H2,1-2H3,(H,24,28)(H,26,27)
InChIKeyVZLOUTQZUFFRFR-UHFFFAOYSA-N
XLogP3.22
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581530
4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid
CID 120546799
1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 43042463
N-[1-(furan-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 18132141
1-benzyl-N-(1-hydroxybutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 110886300
(2S)-2-(carbamoylamino)-3-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 34313702
1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78856623
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581720
N-(2-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24583509
4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120546823
5-phenyl-4-[[4-(propan-2-yloxymethyl)benzoyl]amino]pentanoic acid
CID 120547120
4-[(3-aminopyrazine-2-carbonyl)amino]-5-phenylpentanoic acid
CID 120546825

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-phenyl-4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pentanoic acid (CID 120547250) is 5-phenyl-4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-phenyl-4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-phenyl-4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pentanoic acid is CC(C)n1ncc2cc(C(=O)NC(CCC(=O)O)Cc3ccccc3)cnc21.
What is the InChIKey of 5-phenyl-4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pentanoic acid?
The InChIKey is VZLOUTQZUFFRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14(2)25-20-16(13-23-25)11-17(12-22-20)21(28)24-18(8-9-19(26)27)10-15-6-4-3-5-7-15/h3-7,11-14,18H,8-10H2,1-2H3,(H,24,28)(H,26,27).
What are the key properties of 5-phenyl-4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pentanoic acid?
5-phenyl-4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pentanoic acid has a molecular weight of 380.45 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 120547250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).