N-[[6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-indazole-4-carboxamide

C23H19N5O2 — CID 155167403

IUPACN-[[6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-indazole-4-carboxamide
SMILESCOc1cccc(-c2ccc3nc(CNC(=O)c4cccc5[nH]ncc45)cn3c2)c1
InChIInChI=1S/C23H19N5O2/c1-30-18-5-2-4-15(10-18)16-8-9-22-26-17(14-28(22)13-16)11-24-23(29)19-6-3-7-21-20(19)12-25-27-21/h2-10,12-14H,11H2,1H3,(H,24,29)(H,25,27)
InChIKeyDQRLPCASZHBJDI-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.82
Rot. Bonds5

About N-[[6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-indazole-4-carboxamide

N-[[6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-indazole-4-carboxamide (PubChem CID 155167403) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[[6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-[[6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-indazole-4-carboxamide
PubChem CID155167403
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC NameN-[[6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-indazole-4-carboxamide
SMILESCOc1cccc(-c2ccc3nc(CNC(=O)c4cccc5[nH]ncc45)cn3c2)c1
InChIInChI=1S/C23H19N5O2/c1-30-18-5-2-4-15(10-18)16-8-9-22-26-17(14-28(22)13-16)11-24-23(29)19-6-3-7-21-20(19)12-25-27-21/h2-10,12-14H,11H2,1H3,(H,24,29)(H,25,27)
InChIKeyDQRLPCASZHBJDI-UHFFFAOYSA-N
XLogP3.82
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-indazole-4-carboxamide?
The IUPAC name of N-[[6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-indazole-4-carboxamide (CID 155167403) is N-[[6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-indazole-4-carboxamide.
What is the SMILES notation for N-[[6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-indazole-4-carboxamide?
The canonical SMILES for N-[[6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-indazole-4-carboxamide is COc1cccc(-c2ccc3nc(CNC(=O)c4cccc5[nH]ncc45)cn3c2)c1.
What is the InChIKey of N-[[6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-indazole-4-carboxamide?
The InChIKey is DQRLPCASZHBJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-30-18-5-2-4-15(10-18)16-8-9-22-26-17(14-28(22)13-16)11-24-23(29)19-6-3-7-21-20(19)12-25-27-21/h2-10,12-14H,11H2,1H3,(H,24,29)(H,25,27).
What are the key properties of N-[[6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-indazole-4-carboxamide?
N-[[6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-indazole-4-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-indazole-4-carboxamide is sourced from PubChem (CID 155167403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).