3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid

C21H24N4O2 — CID 69183092

IUPAC3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid
SMILESCCn1ncc2c(-c3cncc(C)c3)c(CCC(=O)O)c(CC3CC3)nc21
InChIInChI=1S/C21H24N4O2/c1-3-25-21-17(12-23-25)20(15-8-13(2)10-22-11-15)16(6-7-19(26)27)18(24-21)9-14-4-5-14/h8,10-12,14H,3-7,9H2,1-2H3,(H,26,27)
InChIKeyQHLSKXYVXWNDTO-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.79
Rot. Bonds7

About 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid

3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid (PubChem CID 69183092) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid
PubChem CID69183092
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid
SMILESCCn1ncc2c(-c3cncc(C)c3)c(CCC(=O)O)c(CC3CC3)nc21
InChIInChI=1S/C21H24N4O2/c1-3-25-21-17(12-23-25)20(15-8-13(2)10-22-11-15)16(6-7-19(26)27)18(24-21)9-14-4-5-14/h8,10-12,14H,3-7,9H2,1-2H3,(H,26,27)
InChIKeyQHLSKXYVXWNDTO-UHFFFAOYSA-N
XLogP3.79
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid?
The IUPAC name of 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid (CID 69183092) is 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid.
What is the SMILES notation for 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid?
The canonical SMILES for 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid is CCn1ncc2c(-c3cncc(C)c3)c(CCC(=O)O)c(CC3CC3)nc21.
What is the InChIKey of 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid?
The InChIKey is QHLSKXYVXWNDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-25-21-17(12-23-25)20(15-8-13(2)10-22-11-15)16(6-7-19(26)27)18(24-21)9-14-4-5-14/h8,10-12,14H,3-7,9H2,1-2H3,(H,26,27).
What are the key properties of 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid?
3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid has a molecular weight of 364.45 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(cyclopropylmethyl)-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid is sourced from PubChem (CID 69183092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).