(3R,4R)-4-[[4-[(2-tert-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide

C25H30N4O4 — CID 25138272

IUPAC(3R,4R)-4-[[4-[(2-tert-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide
SMILESCC(C)(C)c1nn2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C25H30N4O4/c1-25(2,3)22-18(21-6-4-5-12-29(21)27-22)14-16-7-9-17(10-8-16)23(30)26-20-11-13-33-15-19(20)24(31)28-32/h4-10,12,19-20,32H,11,13-15H2,1-3H3,(H,26,30)(H,28,31)/t19-,20+/m0/s1
InChIKeyKCBXQUWPZNVZIG-VQTJNVASSA-N
MW450.54 g/mol
LogP2.86
Rot. Bonds5

About (3R,4R)-4-[[4-[(2-tert-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide

(3R,4R)-4-[[4-[(2-tert-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide (PubChem CID 25138272) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is (3R,4R)-4-[[4-[(2-tert-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-4-[[4-[(2-tert-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide
PubChem CID25138272
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC Name(3R,4R)-4-[[4-[(2-tert-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide
SMILESCC(C)(C)c1nn2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C25H30N4O4/c1-25(2,3)22-18(21-6-4-5-12-29(21)27-22)14-16-7-9-17(10-8-16)23(30)26-20-11-13-33-15-19(20)24(31)28-32/h4-10,12,19-20,32H,11,13-15H2,1-3H3,(H,26,30)(H,28,31)/t19-,20+/m0/s1
InChIKeyKCBXQUWPZNVZIG-VQTJNVASSA-N
XLogP2.86
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[[4-[(2-tert-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide?
The IUPAC name of (3R,4R)-4-[[4-[(2-tert-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide (CID 25138272) is (3R,4R)-4-[[4-[(2-tert-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide.
What is the SMILES notation for (3R,4R)-4-[[4-[(2-tert-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide?
The canonical SMILES for (3R,4R)-4-[[4-[(2-tert-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide is CC(C)(C)c1nn2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1.
What is the InChIKey of (3R,4R)-4-[[4-[(2-tert-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide?
The InChIKey is KCBXQUWPZNVZIG-VQTJNVASSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-25(2,3)22-18(21-6-4-5-12-29(21)27-22)14-16-7-9-17(10-8-16)23(30)26-20-11-13-33-15-19(20)24(31)28-32/h4-10,12,19-20,32H,11,13-15H2,1-3H3,(H,26,30)(H,28,31)/t19-,20+/m0/s1.
What are the key properties of (3R,4R)-4-[[4-[(2-tert-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide?
(3R,4R)-4-[[4-[(2-tert-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[[4-[(2-tert-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide is sourced from PubChem (CID 25138272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).