7-(3-amino-2,2-difluoropropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C27H27F2N7O2 — CID 53262023

IUPAC7-(3-amino-2,2-difluoropropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCC(F)(F)CN)ccn34)c12
InChIInChI=1S/C27H27F2N7O2/c1-3-20-25-21(8-5-9-22(25)36(34-20)14-18-7-4-6-17(2)32-18)33-26(37)23-13-31-24-12-19(10-11-35(23)24)38-16-27(28,29)15-30/h4-13H,3,14-16,30H2,1-2H3,(H,33,37)
InChIKeyCFIIFDUJSFTZCM-UHFFFAOYSA-N
MW519.56 g/mol
LogP4.22
Rot. Bonds9

About 7-(3-amino-2,2-difluoropropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

7-(3-amino-2,2-difluoropropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 53262023) has the molecular formula C27H27F2N7O2 and a molecular weight of 519.56 g/mol. Its IUPAC name is 7-(3-amino-2,2-difluoropropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-(3-amino-2,2-difluoropropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID53262023
Molecular FormulaC27H27F2N7O2
Molecular Weight519.56 g/mol
Exact Mass519.22
IUPAC Name7-(3-amino-2,2-difluoropropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCC(F)(F)CN)ccn34)c12
InChIInChI=1S/C27H27F2N7O2/c1-3-20-25-21(8-5-9-22(25)36(34-20)14-18-7-4-6-17(2)32-18)33-26(37)23-13-31-24-12-19(10-11-35(23)24)38-16-27(28,29)15-30/h4-13H,3,14-16,30H2,1-2H3,(H,33,37)
InChIKeyCFIIFDUJSFTZCM-UHFFFAOYSA-N
XLogP4.22
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.56
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(3-amino-2,2-difluoropropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 7-(3-amino-2,2-difluoropropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 53262023) is 7-(3-amino-2,2-difluoropropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-(3-amino-2,2-difluoropropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 7-(3-amino-2,2-difluoropropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCC(F)(F)CN)ccn34)c12.
What is the InChIKey of 7-(3-amino-2,2-difluoropropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CFIIFDUJSFTZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N7O2/c1-3-20-25-21(8-5-9-22(25)36(34-20)14-18-7-4-6-17(2)32-18)33-26(37)23-13-31-24-12-19(10-11-35(23)24)38-16-27(28,29)15-30/h4-13H,3,14-16,30H2,1-2H3,(H,33,37).
What are the key properties of 7-(3-amino-2,2-difluoropropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
7-(3-amino-2,2-difluoropropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 519.56 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-amino-2,2-difluoropropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 53262023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).