6-[[5-chloro-3-[(1-fluorocyclopropyl)methoxy]-2-pyridinyl]oxy]-7-methyl-N-(2-methylheptan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;ethane

C28H38ClFN4O3 — CID 171552597

IUPAC6-[[5-chloro-3-[(1-fluorocyclopropyl)methoxy]-2-pyridinyl]oxy]-7-methyl-N-(2-methylheptan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;ethane
SMILESCC.CCCCCC(C)(C)NC(=O)c1cn2cc(Oc3ncc(Cl)cc3OCC3(F)CC3)c(C)cc2n1
InChIInChI=1S/C26H32ClFN4O3.C2H6/c1-5-6-7-8-25(3,4)31-23(33)19-14-32-15-21(17(2)11-22(32)30-19)35-24-20(12-18(27)13-29-24)34-16-26(28)9-10-26;1-2/h11-15H,5-10,16H2,1-4H3,(H,31,33);1-2H3
InChIKeyKZPBGMROQROQMO-UHFFFAOYSA-N
MW533.09 g/mol
LogP7.48
Rot. Bonds11

About 6-[[5-chloro-3-[(1-fluorocyclopropyl)methoxy]-2-pyridinyl]oxy]-7-methyl-N-(2-methylheptan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;ethane

6-[[5-chloro-3-[(1-fluorocyclopropyl)methoxy]-2-pyridinyl]oxy]-7-methyl-N-(2-methylheptan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;ethane (PubChem CID 171552597) has the molecular formula C28H38ClFN4O3 and a molecular weight of 533.09 g/mol. Its IUPAC name is 6-[[5-chloro-3-[(1-fluorocyclopropyl)methoxy]-2-pyridinyl]oxy]-7-methyl-N-(2-methylheptan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;ethane.

Molecular Properties

Compound Name6-[[5-chloro-3-[(1-fluorocyclopropyl)methoxy]-2-pyridinyl]oxy]-7-methyl-N-(2-methylheptan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;ethane
PubChem CID171552597
Molecular FormulaC28H38ClFN4O3
Molecular Weight533.09 g/mol
Exact Mass532.26
IUPAC Name6-[[5-chloro-3-[(1-fluorocyclopropyl)methoxy]-2-pyridinyl]oxy]-7-methyl-N-(2-methylheptan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;ethane
SMILESCC.CCCCCC(C)(C)NC(=O)c1cn2cc(Oc3ncc(Cl)cc3OCC3(F)CC3)c(C)cc2n1
InChIInChI=1S/C26H32ClFN4O3.C2H6/c1-5-6-7-8-25(3,4)31-23(33)19-14-32-15-21(17(2)11-22(32)30-19)35-24-20(12-18(27)13-29-24)34-16-26(28)9-10-26;1-2/h11-15H,5-10,16H2,1-4H3,(H,31,33);1-2H3
InChIKeyKZPBGMROQROQMO-UHFFFAOYSA-N
XLogP7.48
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.09
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-chloro-3-[(1-fluorocyclopropyl)methoxy]-2-pyridinyl]oxy]-7-methyl-N-(2-methylheptan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;ethane?
The IUPAC name of 6-[[5-chloro-3-[(1-fluorocyclopropyl)methoxy]-2-pyridinyl]oxy]-7-methyl-N-(2-methylheptan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;ethane (CID 171552597) is 6-[[5-chloro-3-[(1-fluorocyclopropyl)methoxy]-2-pyridinyl]oxy]-7-methyl-N-(2-methylheptan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;ethane.
What is the SMILES notation for 6-[[5-chloro-3-[(1-fluorocyclopropyl)methoxy]-2-pyridinyl]oxy]-7-methyl-N-(2-methylheptan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;ethane?
The canonical SMILES for 6-[[5-chloro-3-[(1-fluorocyclopropyl)methoxy]-2-pyridinyl]oxy]-7-methyl-N-(2-methylheptan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;ethane is CC.CCCCCC(C)(C)NC(=O)c1cn2cc(Oc3ncc(Cl)cc3OCC3(F)CC3)c(C)cc2n1.
What is the InChIKey of 6-[[5-chloro-3-[(1-fluorocyclopropyl)methoxy]-2-pyridinyl]oxy]-7-methyl-N-(2-methylheptan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;ethane?
The InChIKey is KZPBGMROQROQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClFN4O3.C2H6/c1-5-6-7-8-25(3,4)31-23(33)19-14-32-15-21(17(2)11-22(32)30-19)35-24-20(12-18(27)13-29-24)34-16-26(28)9-10-26;1-2/h11-15H,5-10,16H2,1-4H3,(H,31,33);1-2H3.
What are the key properties of 6-[[5-chloro-3-[(1-fluorocyclopropyl)methoxy]-2-pyridinyl]oxy]-7-methyl-N-(2-methylheptan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;ethane?
6-[[5-chloro-3-[(1-fluorocyclopropyl)methoxy]-2-pyridinyl]oxy]-7-methyl-N-(2-methylheptan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;ethane has a molecular weight of 533.09 g/mol, XLogP of 7.48, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-chloro-3-[(1-fluorocyclopropyl)methoxy]-2-pyridinyl]oxy]-7-methyl-N-(2-methylheptan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;ethane is sourced from PubChem (CID 171552597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).