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

C23H26N4O4 — CID 25138270

IUPAC(3R,4R)-4-[[4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide
SMILESCCc1nn2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C23H26N4O4/c1-2-19-17(21-5-3-4-11-27(21)25-19)13-15-6-8-16(9-7-15)22(28)24-20-10-12-31-14-18(20)23(29)26-30/h3-9,11,18,20,30H,2,10,12-14H2,1H3,(H,24,28)(H,26,29)/t18-,20+/m0/s1
InChIKeyITVUSPVMUHFUQB-AZUAARDMSA-N
MW422.49 g/mol
LogP2.13
Rot. Bonds6

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

(3R,4R)-4-[[4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide (PubChem CID 25138270) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is (3R,4R)-4-[[4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-4-[[4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide
PubChem CID25138270
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name(3R,4R)-4-[[4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide
SMILESCCc1nn2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C23H26N4O4/c1-2-19-17(21-5-3-4-11-27(21)25-19)13-15-6-8-16(9-7-15)22(28)24-20-10-12-31-14-18(20)23(29)26-30/h3-9,11,18,20,30H,2,10,12-14H2,1H3,(H,24,28)(H,26,29)/t18-,20+/m0/s1
InChIKeyITVUSPVMUHFUQB-AZUAARDMSA-N
XLogP2.13
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.13
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-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide?
The IUPAC name of (3R,4R)-4-[[4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide (CID 25138270) is (3R,4R)-4-[[4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide.
What is the SMILES notation for (3R,4R)-4-[[4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide?
The canonical SMILES for (3R,4R)-4-[[4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide is CCc1nn2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1.
What is the InChIKey of (3R,4R)-4-[[4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide?
The InChIKey is ITVUSPVMUHFUQB-AZUAARDMSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-2-19-17(21-5-3-4-11-27(21)25-19)13-15-6-8-16(9-7-15)22(28)24-20-10-12-31-14-18(20)23(29)26-30/h3-9,11,18,20,30H,2,10,12-14H2,1H3,(H,24,28)(H,26,29)/t18-,20+/m0/s1.
What are the key properties of (3R,4R)-4-[[4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide?
(3R,4R)-4-[[4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 2.13, 6 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-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoyl]amino]-N-hydroxyoxane-3-carboxamide is sourced from PubChem (CID 25138270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).