N-ethyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methyl-N-propan-2-ylindazole-6-carboxamide

C21H22FN5O — CID 58522788

IUPACN-ethyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methyl-N-propan-2-ylindazole-6-carboxamide
SMILESCCN(C(=O)c1ccc2c(-c3cnc4ccc(F)cn34)nn(C)c2c1)C(C)C
InChIInChI=1S/C21H22FN5O/c1-5-26(13(2)3)21(28)14-6-8-16-17(10-14)25(4)24-20(16)18-11-23-19-9-7-15(22)12-27(18)19/h6-13H,5H2,1-4H3
InChIKeyNMNJIZRSSXRRDZ-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.90
Rot. Bonds4

About N-ethyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methyl-N-propan-2-ylindazole-6-carboxamide

N-ethyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methyl-N-propan-2-ylindazole-6-carboxamide (PubChem CID 58522788) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is N-ethyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methyl-N-propan-2-ylindazole-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methyl-N-propan-2-ylindazole-6-carboxamide
PubChem CID58522788
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC NameN-ethyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methyl-N-propan-2-ylindazole-6-carboxamide
SMILESCCN(C(=O)c1ccc2c(-c3cnc4ccc(F)cn34)nn(C)c2c1)C(C)C
InChIInChI=1S/C21H22FN5O/c1-5-26(13(2)3)21(28)14-6-8-16-17(10-14)25(4)24-20(16)18-11-23-19-9-7-15(22)12-27(18)19/h6-13H,5H2,1-4H3
InChIKeyNMNJIZRSSXRRDZ-UHFFFAOYSA-N
XLogP3.90
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methyl-N-propan-2-ylindazole-6-carboxamide?
The IUPAC name of N-ethyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methyl-N-propan-2-ylindazole-6-carboxamide (CID 58522788) is N-ethyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methyl-N-propan-2-ylindazole-6-carboxamide.
What is the SMILES notation for N-ethyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methyl-N-propan-2-ylindazole-6-carboxamide?
The canonical SMILES for N-ethyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methyl-N-propan-2-ylindazole-6-carboxamide is CCN(C(=O)c1ccc2c(-c3cnc4ccc(F)cn34)nn(C)c2c1)C(C)C.
What is the InChIKey of N-ethyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methyl-N-propan-2-ylindazole-6-carboxamide?
The InChIKey is NMNJIZRSSXRRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-5-26(13(2)3)21(28)14-6-8-16-17(10-14)25(4)24-20(16)18-11-23-19-9-7-15(22)12-27(18)19/h6-13H,5H2,1-4H3.
What are the key properties of N-ethyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methyl-N-propan-2-ylindazole-6-carboxamide?
N-ethyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methyl-N-propan-2-ylindazole-6-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methyl-N-propan-2-ylindazole-6-carboxamide is sourced from PubChem (CID 58522788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).