2-tert-butyl-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid

C21H24N4O3 — CID 137243909

IUPAC2-tert-butyl-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)C1C(n2nc(-c3ccc(O)cc3)c3cnccc32)CCN1C(=O)O
InChIInChI=1S/C21H24N4O3/c1-21(2,3)19-17(9-11-24(19)20(27)28)25-16-8-10-22-12-15(16)18(23-25)13-4-6-14(26)7-5-13/h4-8,10,12,17,19,26H,9,11H2,1-3H3,(H,27,28)
InChIKeyGNBSXEGERAZDAT-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.14
Rot. Bonds2

About 2-tert-butyl-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid

2-tert-butyl-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid (PubChem CID 137243909) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-tert-butyl-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid
PubChem CID137243909
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-tert-butyl-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)C1C(n2nc(-c3ccc(O)cc3)c3cnccc32)CCN1C(=O)O
InChIInChI=1S/C21H24N4O3/c1-21(2,3)19-17(9-11-24(19)20(27)28)25-16-8-10-22-12-15(16)18(23-25)13-4-6-14(26)7-5-13/h4-8,10,12,17,19,26H,9,11H2,1-3H3,(H,27,28)
InChIKeyGNBSXEGERAZDAT-UHFFFAOYSA-N
XLogP4.14
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-{2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl}phenol
CID 16188061
(R)-1-(3-(3-(4-(2,3-difluorophenoxy)phenyl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyrrolidin-1-yl)prop-2-en-1-one
CID 130247008
tert-butyl (3R)-3-[3-[4-[(2-fluorophenyl)methoxy]phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate
CID 130247404
(R)-1-(3-(3-(3-fluoro-4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyrrolidin-1-yl)prop-2-en-1-one
CID 130271699
(R)-1-(3-(3-(4-(3-fluorophenoxy)phenyl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyrrolidin-1-yl)prop-2-en-1-one
CID 130271849
(R)-1-(3-(3-(4-(3-fluoro-2-methylphenoxy)phenyl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyrrolidin-1-yl)prop-2-en-1-one
CID 130271850
4-(5,5-Dimethyl-2-pyridin-2-yl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)phenol
CID 145979471
(R)-1-(3-(3-(4-(m-tolyloxy)phenyl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyrrolidin-1-yl)prop-2-en-1-one
CID 130248854
1-[(3R)-3-[3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 138538978
(5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-one
CID 71214601
(5R)-5-[1-(3,5-difluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-1-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-2-one
CID 71214666
(5R)-5-[1-(3,5-difluorophenyl)-3-(6-fluoro-3-pyridinyl)pyrazol-4-yl]-1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-one
CID 71214671

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid (CID 137243909) is 2-tert-butyl-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid is CC(C)(C)C1C(n2nc(-c3ccc(O)cc3)c3cnccc32)CCN1C(=O)O.
What is the InChIKey of 2-tert-butyl-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid?
The InChIKey is GNBSXEGERAZDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-21(2,3)19-17(9-11-24(19)20(27)28)25-16-8-10-22-12-15(16)18(23-25)13-4-6-14(26)7-5-13/h4-8,10,12,17,19,26H,9,11H2,1-3H3,(H,27,28).
What are the key properties of 2-tert-butyl-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid?
2-tert-butyl-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid has a molecular weight of 380.45 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-[3-(4-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 137243909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).