N-(2-amino-5,5,5-trifluoro-2-methylpentyl)-6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C21H22ClF4N5O2 — CID 118488770

IUPACN-(2-amino-5,5,5-trifluoro-2-methylpentyl)-6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3ncccc3F)cc(Cl)cn2c1C(=O)NCC(C)(N)CCC(F)(F)F
InChIInChI=1S/C21H22ClF4N5O2/c1-12-17(19(32)29-11-20(2,27)5-6-21(24,25)26)31-9-13(22)8-16(18(31)30-12)33-10-15-14(23)4-3-7-28-15/h3-4,7-9H,5-6,10-11,27H2,1-2H3,(H,29,32)
InChIKeyBDRORYXXAMUKQE-UHFFFAOYSA-N
MW487.89 g/mol
LogP4.20
Rot. Bonds8

About N-(2-amino-5,5,5-trifluoro-2-methylpentyl)-6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-(2-amino-5,5,5-trifluoro-2-methylpentyl)-6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118488770) has the molecular formula C21H22ClF4N5O2 and a molecular weight of 487.89 g/mol. Its IUPAC name is N-(2-amino-5,5,5-trifluoro-2-methylpentyl)-6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5,5,5-trifluoro-2-methylpentyl)-6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118488770
Molecular FormulaC21H22ClF4N5O2
Molecular Weight487.89 g/mol
Exact Mass487.14
IUPAC NameN-(2-amino-5,5,5-trifluoro-2-methylpentyl)-6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3ncccc3F)cc(Cl)cn2c1C(=O)NCC(C)(N)CCC(F)(F)F
InChIInChI=1S/C21H22ClF4N5O2/c1-12-17(19(32)29-11-20(2,27)5-6-21(24,25)26)31-9-13(22)8-16(18(31)30-12)33-10-15-14(23)4-3-7-28-15/h3-4,7-9H,5-6,10-11,27H2,1-2H3,(H,29,32)
InChIKeyBDRORYXXAMUKQE-UHFFFAOYSA-N
XLogP4.20
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.89
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-amino-5,5,5-trifluoro-2-methylpentyl)-6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5,5,5-trifluoro-2-methylpentyl)-6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-5,5,5-trifluoro-2-methylpentyl)-6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 118488770) is N-(2-amino-5,5,5-trifluoro-2-methylpentyl)-6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-5,5,5-trifluoro-2-methylpentyl)-6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-5,5,5-trifluoro-2-methylpentyl)-6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3ncccc3F)cc(Cl)cn2c1C(=O)NCC(C)(N)CCC(F)(F)F.
What is the InChIKey of N-(2-amino-5,5,5-trifluoro-2-methylpentyl)-6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BDRORYXXAMUKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClF4N5O2/c1-12-17(19(32)29-11-20(2,27)5-6-21(24,25)26)31-9-13(22)8-16(18(31)30-12)33-10-15-14(23)4-3-7-28-15/h3-4,7-9H,5-6,10-11,27H2,1-2H3,(H,29,32).
What are the key properties of N-(2-amino-5,5,5-trifluoro-2-methylpentyl)-6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-(2-amino-5,5,5-trifluoro-2-methylpentyl)-6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 487.89 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5,5,5-trifluoro-2-methylpentyl)-6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118488770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).