3-amino-1-[6-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide

C17H17N7O4 — CID 170414060

IUPAC3-amino-1-[6-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
SMILESCN1CC[C@@](O)(c2cc(-c3cccc(-n4cc(C(N)=O)c(N)n4)n3)no2)C1=O
InChIInChI=1S/C17H17N7O4/c1-23-6-5-17(27,16(23)26)12-7-11(22-28-12)10-3-2-4-13(20-10)24-8-9(15(19)25)14(18)21-24/h2-4,7-8,27H,5-6H2,1H3,(H2,18,21)(H2,19,25)/t17-/m1/s1
InChIKeyWKWCKMBLMSYZPI-QGZVFWFLSA-N
MW383.37 g/mol
LogP-0.35
Rot. Bonds4

About 3-amino-1-[6-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide

3-amino-1-[6-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 170414060) has the molecular formula C17H17N7O4 and a molecular weight of 383.37 g/mol. Its IUPAC name is 3-amino-1-[6-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-1-[6-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID170414060
Molecular FormulaC17H17N7O4
Molecular Weight383.37 g/mol
Exact Mass383.13
IUPAC Name3-amino-1-[6-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
SMILESCN1CC[C@@](O)(c2cc(-c3cccc(-n4cc(C(N)=O)c(N)n4)n3)no2)C1=O
InChIInChI=1S/C17H17N7O4/c1-23-6-5-17(27,16(23)26)12-7-11(22-28-12)10-3-2-4-13(20-10)24-8-9(15(19)25)14(18)21-24/h2-4,7-8,27H,5-6H2,1H3,(H2,18,21)(H2,19,25)/t17-/m1/s1
InChIKeyWKWCKMBLMSYZPI-QGZVFWFLSA-N
XLogP-0.35
TPSA166.39 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-amino-1-[6-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide
CID 175964567
3-[3-(furan-2-yl)-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 175964612
3-[3-[6-[2-[(1-cyclopropylcyclopropyl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 177263167
(3R)-3-hydroxy-1-methyl-3-[3-[6-[2-[(1-methyl-1,2,4-triazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170380706
6-[5-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]furan-2-yl]pyridine-2-carboxylic acid
CID 170350528
6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-methylpyridine-2-carboxamide
CID 170575200
3-hydroxy-1-methyl-3-[3-[6-[2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326335
1-[4-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]indazole-3-carboxamide
CID 175964559
3-[3-[6-[2-[(5-fluoro-2-pyridinyl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170377444
6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-4-methoxypyridine-2-carboxamide
CID 170575198
(3R)-3-hydroxy-1-methyl-3-[3-[6-[2-[(5-methyl-1,2,4-triazin-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170385783
(3R)-3-hydroxy-1-methyl-3-[3-[6-[2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326743

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[6-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 3-amino-1-[6-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide (CID 170414060) is 3-amino-1-[6-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-1-[6-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-1-[6-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide is CN1CC[C@@](O)(c2cc(-c3cccc(-n4cc(C(N)=O)c(N)n4)n3)no2)C1=O.
What is the InChIKey of 3-amino-1-[6-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is WKWCKMBLMSYZPI-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17N7O4/c1-23-6-5-17(27,16(23)26)12-7-11(22-28-12)10-3-2-4-13(20-10)24-8-9(15(19)25)14(18)21-24/h2-4,7-8,27H,5-6H2,1H3,(H2,18,21)(H2,19,25)/t17-/m1/s1.
What are the key properties of 3-amino-1-[6-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?
3-amino-1-[6-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 383.37 g/mol, XLogP of -0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[6-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 170414060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).