N-[2-(1H-indol-3-yl)ethyl]-3-[2-methoxyethyl-[(4-methoxyphenyl)methyl]amino]-2-methylimidazo[1,2-a]pyridine-6-carboxamide

C30H33N5O3 — CID 46942960

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-[2-methoxyethyl-[(4-methoxyphenyl)methyl]amino]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCOCCN(Cc1ccc(OC)cc1)c1c(C)nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cn12
InChIInChI=1S/C30H33N5O3/c1-21-30(34(16-17-37-2)19-22-8-11-25(38-3)12-9-22)35-20-24(10-13-28(35)33-21)29(36)31-15-14-23-18-32-27-7-5-4-6-26(23)27/h4-13,18,20,32H,14-17,19H2,1-3H3,(H,31,36)
InChIKeyADMFRSNIOIYBON-UHFFFAOYSA-N
MW511.63 g/mol
LogP4.76
Rot. Bonds11

About N-[2-(1H-indol-3-yl)ethyl]-3-[2-methoxyethyl-[(4-methoxyphenyl)methyl]amino]-2-methylimidazo[1,2-a]pyridine-6-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-3-[2-methoxyethyl-[(4-methoxyphenyl)methyl]amino]-2-methylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46942960) has the molecular formula C30H33N5O3 and a molecular weight of 511.63 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-[2-methoxyethyl-[(4-methoxyphenyl)methyl]amino]-2-methylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-[2-methoxyethyl-[(4-methoxyphenyl)methyl]amino]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46942960
Molecular FormulaC30H33N5O3
Molecular Weight511.63 g/mol
Exact Mass511.26
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-[2-methoxyethyl-[(4-methoxyphenyl)methyl]amino]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCOCCN(Cc1ccc(OC)cc1)c1c(C)nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cn12
InChIInChI=1S/C30H33N5O3/c1-21-30(34(16-17-37-2)19-22-8-11-25(38-3)12-9-22)35-20-24(10-13-28(35)33-21)29(36)31-15-14-23-18-32-27-7-5-4-6-26(23)27/h4-13,18,20,32H,14-17,19H2,1-3H3,(H,31,36)
InChIKeyADMFRSNIOIYBON-UHFFFAOYSA-N
XLogP4.76
TPSA83.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.63
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-[2-methoxyethyl-[(4-methoxyphenyl)methyl]amino]-2-methylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-[2-methoxyethyl-[(4-methoxyphenyl)methyl]amino]-2-methylimidazo[1,2-a]pyridine-6-carboxamide (CID 46942960) is N-[2-(1H-indol-3-yl)ethyl]-3-[2-methoxyethyl-[(4-methoxyphenyl)methyl]amino]-2-methylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-[2-methoxyethyl-[(4-methoxyphenyl)methyl]amino]-2-methylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-[2-methoxyethyl-[(4-methoxyphenyl)methyl]amino]-2-methylimidazo[1,2-a]pyridine-6-carboxamide is COCCN(Cc1ccc(OC)cc1)c1c(C)nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cn12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-[2-methoxyethyl-[(4-methoxyphenyl)methyl]amino]-2-methylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is ADMFRSNIOIYBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O3/c1-21-30(34(16-17-37-2)19-22-8-11-25(38-3)12-9-22)35-20-24(10-13-28(35)33-21)29(36)31-15-14-23-18-32-27-7-5-4-6-26(23)27/h4-13,18,20,32H,14-17,19H2,1-3H3,(H,31,36).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-[2-methoxyethyl-[(4-methoxyphenyl)methyl]amino]-2-methylimidazo[1,2-a]pyridine-6-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-3-[2-methoxyethyl-[(4-methoxyphenyl)methyl]amino]-2-methylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 511.63 g/mol, XLogP of 4.76, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-[2-methoxyethyl-[(4-methoxyphenyl)methyl]amino]-2-methylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46942960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).