N-[[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-(oxan-2-yl)indazole-4-carboxamide

C23H25N5O3 — CID 155167819

IUPACN-[[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-(oxan-2-yl)indazole-4-carboxamide
SMILESCC(O)c1ccc2nc(CNC(=O)c3cccc4c3cnn4C3CCCCO3)cn2c1
InChIInChI=1S/C23H25N5O3/c1-15(29)16-8-9-21-26-17(14-27(21)13-16)11-24-23(30)18-5-4-6-20-19(18)12-25-28(20)22-7-2-3-10-31-22/h4-6,8-9,12-15,22,29H,2-3,7,10-11H2,1H3,(H,24,30)
InChIKeyLKIKNFLGWKJMGW-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.37
Rot. Bonds5

About N-[[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-(oxan-2-yl)indazole-4-carboxamide

N-[[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-(oxan-2-yl)indazole-4-carboxamide (PubChem CID 155167819) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-(oxan-2-yl)indazole-4-carboxamide.

Molecular Properties

Compound NameN-[[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-(oxan-2-yl)indazole-4-carboxamide
PubChem CID155167819
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-[[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-(oxan-2-yl)indazole-4-carboxamide
SMILESCC(O)c1ccc2nc(CNC(=O)c3cccc4c3cnn4C3CCCCO3)cn2c1
InChIInChI=1S/C23H25N5O3/c1-15(29)16-8-9-21-26-17(14-27(21)13-16)11-24-23(30)18-5-4-6-20-19(18)12-25-28(20)22-7-2-3-10-31-22/h4-6,8-9,12-15,22,29H,2-3,7,10-11H2,1H3,(H,24,30)
InChIKeyLKIKNFLGWKJMGW-UHFFFAOYSA-N
XLogP3.37
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-(oxan-2-yl)indazole-4-carboxamide?
The IUPAC name of N-[[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-(oxan-2-yl)indazole-4-carboxamide (CID 155167819) is N-[[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-(oxan-2-yl)indazole-4-carboxamide.
What is the SMILES notation for N-[[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-(oxan-2-yl)indazole-4-carboxamide?
The canonical SMILES for N-[[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-(oxan-2-yl)indazole-4-carboxamide is CC(O)c1ccc2nc(CNC(=O)c3cccc4c3cnn4C3CCCCO3)cn2c1.
What is the InChIKey of N-[[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-(oxan-2-yl)indazole-4-carboxamide?
The InChIKey is LKIKNFLGWKJMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-15(29)16-8-9-21-26-17(14-27(21)13-16)11-24-23(30)18-5-4-6-20-19(18)12-25-28(20)22-7-2-3-10-31-22/h4-6,8-9,12-15,22,29H,2-3,7,10-11H2,1H3,(H,24,30).
What are the key properties of N-[[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-(oxan-2-yl)indazole-4-carboxamide?
N-[[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-(oxan-2-yl)indazole-4-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-(oxan-2-yl)indazole-4-carboxamide is sourced from PubChem (CID 155167819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).