3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-7-carboxamide

C28H30N6O4S — CID 44623307

IUPAC3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-7-carboxamide
SMILESCc1nc2cc(C(=O)NCCN3CCOCC3)ccn2c1-c1csc(C2(c3ccc(C(=O)NO)cc3)CC2)n1
InChIInChI=1S/C28H30N6O4S/c1-18-24(22-17-39-27(31-22)28(7-8-28)21-4-2-19(3-5-21)26(36)32-37)34-10-6-20(16-23(34)30-18)25(35)29-9-11-33-12-14-38-15-13-33/h2-6,10,16-17,37H,7-9,11-15H2,1H3,(H,29,35)(H,32,36)
InChIKeyKDZVJHPKUPLGDQ-UHFFFAOYSA-N
MW546.65 g/mol
LogP3.03
Rot. Bonds8

About 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-7-carboxamide

3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 44623307) has the molecular formula C28H30N6O4S and a molecular weight of 546.65 g/mol. Its IUPAC name is 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID44623307
Molecular FormulaC28H30N6O4S
Molecular Weight546.65 g/mol
Exact Mass546.20
IUPAC Name3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-7-carboxamide
SMILESCc1nc2cc(C(=O)NCCN3CCOCC3)ccn2c1-c1csc(C2(c3ccc(C(=O)NO)cc3)CC2)n1
InChIInChI=1S/C28H30N6O4S/c1-18-24(22-17-39-27(31-22)28(7-8-28)21-4-2-19(3-5-21)26(36)32-37)34-10-6-20(16-23(34)30-18)25(35)29-9-11-33-12-14-38-15-13-33/h2-6,10,16-17,37H,7-9,11-15H2,1H3,(H,29,35)(H,32,36)
InChIKeyKDZVJHPKUPLGDQ-UHFFFAOYSA-N
XLogP3.03
TPSA121.09 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.65
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-7-carboxamide (CID 44623307) is 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-7-carboxamide is Cc1nc2cc(C(=O)NCCN3CCOCC3)ccn2c1-c1csc(C2(c3ccc(C(=O)NO)cc3)CC2)n1.
What is the InChIKey of 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is KDZVJHPKUPLGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O4S/c1-18-24(22-17-39-27(31-22)28(7-8-28)21-4-2-19(3-5-21)26(36)32-37)34-10-6-20(16-23(34)30-18)25(35)29-9-11-33-12-14-38-15-13-33/h2-6,10,16-17,37H,7-9,11-15H2,1H3,(H,29,35)(H,32,36).
What are the key properties of 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-7-carboxamide?
3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 546.65 g/mol, XLogP of 3.03, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 44623307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).