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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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).