4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylic acid

C17H17N5O3 — CID 67123939

IUPAC4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(-c2cnn3cccnc23)cc1NC1CCOCC1
InChIInChI=1S/C17H17N5O3/c23-17(24)13-9-19-14(8-15(13)21-11-2-6-25-7-3-11)12-10-20-22-5-1-4-18-16(12)22/h1,4-5,8-11H,2-3,6-7H2,(H,19,21)(H,23,24)
InChIKeyMETXMXUCHOGRHE-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.08
Rot. Bonds4

About 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylic acid

4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylic acid (PubChem CID 67123939) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylic acid
PubChem CID67123939
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(-c2cnn3cccnc23)cc1NC1CCOCC1
InChIInChI=1S/C17H17N5O3/c23-17(24)13-9-19-14(8-15(13)21-11-2-6-25-7-3-11)12-10-20-22-5-1-4-18-16(12)22/h1,4-5,8-11H,2-3,6-7H2,(H,19,21)(H,23,24)
InChIKeyMETXMXUCHOGRHE-UHFFFAOYSA-N
XLogP2.08
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Tracazolate
CID 5522
6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
(S)-3-{[3-(2-Piperidin-4-yl-ethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]-amino}-3-pyridin-3-yl-propionic acid
CID 20694723
4-[[8-[1-(2-Methylpropyl)-1H-pyrazol-4-yl][1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59198979
4-[[8-(1-Propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59198994
4-[[8-(1-Cyclopentylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199142
4-[[8-(1-Cyclohexylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199165
Ethyl 4-(4-hydroxyanilino)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 11406597
Ethyl 4-(4-hydroxyanilino)-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 11476465
4-((1-Benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoic acid
CID 845965
ethyl 3-cyclopropyl-1-methyl-4-morpholino-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 2818961
ethyl 4-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate
CID 660250

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylic acid?
The IUPAC name of 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylic acid (CID 67123939) is 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylic acid is O=C(O)c1cnc(-c2cnn3cccnc23)cc1NC1CCOCC1.
What is the InChIKey of 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylic acid?
The InChIKey is METXMXUCHOGRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c23-17(24)13-9-19-14(8-15(13)21-11-2-6-25-7-3-11)12-10-20-22-5-1-4-18-16(12)22/h1,4-5,8-11H,2-3,6-7H2,(H,19,21)(H,23,24).
What are the key properties of 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylic acid?
4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylic acid has a molecular weight of 339.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 67123939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).