N-(2-methoxyethyl)-2-[8-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridin-2-yl]acetamide

C29H37N5O2 — CID 155796987

IUPACN-(2-methoxyethyl)-2-[8-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridin-2-yl]acetamide
SMILESCOCCNC(=O)Cc1cn2cc(-c3[nH]c4ccc(C5CCNCC5)cc4c3C(C)C)cc(C)c2n1
InChIInChI=1S/C29H37N5O2/c1-18(2)27-24-14-21(20-7-9-30-10-8-20)5-6-25(24)33-28(27)22-13-19(3)29-32-23(17-34(29)16-22)15-26(35)31-11-12-36-4/h5-6,13-14,16-18,20,30,33H,7-12,15H2,1-4H3,(H,31,35)
InChIKeyIVMDPNIZWQPAMG-UHFFFAOYSA-N
MW487.65 g/mol
LogP4.69
Rot. Bonds8

About N-(2-methoxyethyl)-2-[8-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridin-2-yl]acetamide

N-(2-methoxyethyl)-2-[8-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridin-2-yl]acetamide (PubChem CID 155796987) has the molecular formula C29H37N5O2 and a molecular weight of 487.65 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[8-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[8-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridin-2-yl]acetamide
PubChem CID155796987
Molecular FormulaC29H37N5O2
Molecular Weight487.65 g/mol
Exact Mass487.29
IUPAC NameN-(2-methoxyethyl)-2-[8-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridin-2-yl]acetamide
SMILESCOCCNC(=O)Cc1cn2cc(-c3[nH]c4ccc(C5CCNCC5)cc4c3C(C)C)cc(C)c2n1
InChIInChI=1S/C29H37N5O2/c1-18(2)27-24-14-21(20-7-9-30-10-8-20)5-6-25(24)33-28(27)22-13-19(3)29-32-23(17-34(29)16-22)15-26(35)31-11-12-36-4/h5-6,13-14,16-18,20,30,33H,7-12,15H2,1-4H3,(H,31,35)
InChIKeyIVMDPNIZWQPAMG-UHFFFAOYSA-N
XLogP4.69
TPSA83.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[8-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridin-2-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[8-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridin-2-yl]acetamide (CID 155796987) is N-(2-methoxyethyl)-2-[8-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridin-2-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[8-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridin-2-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[8-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridin-2-yl]acetamide is COCCNC(=O)Cc1cn2cc(-c3[nH]c4ccc(C5CCNCC5)cc4c3C(C)C)cc(C)c2n1.
What is the InChIKey of N-(2-methoxyethyl)-2-[8-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridin-2-yl]acetamide?
The InChIKey is IVMDPNIZWQPAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O2/c1-18(2)27-24-14-21(20-7-9-30-10-8-20)5-6-25(24)33-28(27)22-13-19(3)29-32-23(17-34(29)16-22)15-26(35)31-11-12-36-4/h5-6,13-14,16-18,20,30,33H,7-12,15H2,1-4H3,(H,31,35).
What are the key properties of N-(2-methoxyethyl)-2-[8-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridin-2-yl]acetamide?
N-(2-methoxyethyl)-2-[8-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridin-2-yl]acetamide has a molecular weight of 487.65 g/mol, XLogP of 4.69, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[8-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 155796987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).