1-[2-[5-[5-(6-tetracyclo[5.3.1.01,9.02,4]undecanyl)pentanoyl]imidazo[1,2-a]pyridin-2-yl]acetyl]piperidine-4-carboxamide

C31H40N4O3 — CID 143685801

IUPAC1-[2-[5-[5-(6-tetracyclo[5.3.1.01,9.02,4]undecanyl)pentanoyl]imidazo[1,2-a]pyridin-2-yl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2cn3c(C(=O)CCCCC4CC5CC5C56CC4CC5C6)cccc3n2)CC1
InChIInChI=1S/C31H40N4O3/c32-30(38)19-8-10-34(11-9-19)29(37)15-24-18-35-26(5-3-7-28(35)33-24)27(36)6-2-1-4-20-12-21-14-25(21)31-16-22(20)13-23(31)17-31/h3,5,7,18-23,25H,1-2,4,6,8-17H2,(H2,32,38)
InChIKeyOHMDKCDTCPUKRX-UHFFFAOYSA-N
MW516.69 g/mol
LogP4.42
Rot. Bonds9

About 1-[2-[5-[5-(6-tetracyclo[5.3.1.01,9.02,4]undecanyl)pentanoyl]imidazo[1,2-a]pyridin-2-yl]acetyl]piperidine-4-carboxamide

1-[2-[5-[5-(6-tetracyclo[5.3.1.01,9.02,4]undecanyl)pentanoyl]imidazo[1,2-a]pyridin-2-yl]acetyl]piperidine-4-carboxamide (PubChem CID 143685801) has the molecular formula C31H40N4O3 and a molecular weight of 516.69 g/mol. Its IUPAC name is 1-[2-[5-[5-(6-tetracyclo[5.3.1.01,9.02,4]undecanyl)pentanoyl]imidazo[1,2-a]pyridin-2-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[5-[5-(6-tetracyclo[5.3.1.01,9.02,4]undecanyl)pentanoyl]imidazo[1,2-a]pyridin-2-yl]acetyl]piperidine-4-carboxamide
PubChem CID143685801
Molecular FormulaC31H40N4O3
Molecular Weight516.69 g/mol
Exact Mass516.31
IUPAC Name1-[2-[5-[5-(6-tetracyclo[5.3.1.01,9.02,4]undecanyl)pentanoyl]imidazo[1,2-a]pyridin-2-yl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2cn3c(C(=O)CCCCC4CC5CC5C56CC4CC5C6)cccc3n2)CC1
InChIInChI=1S/C31H40N4O3/c32-30(38)19-8-10-34(11-9-19)29(37)15-24-18-35-26(5-3-7-28(35)33-24)27(36)6-2-1-4-20-12-21-14-25(21)31-16-22(20)13-23(31)17-31/h3,5,7,18-23,25H,1-2,4,6,8-17H2,(H2,32,38)
InChIKeyOHMDKCDTCPUKRX-UHFFFAOYSA-N
XLogP4.42
TPSA97.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.69
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-[5-[5-(6-tetracyclo[5.3.1.01,9.02,4]undecanyl)pentanoyl]imidazo[1,2-a]pyridin-2-yl]acetyl]piperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[5-(6-tetracyclo[5.3.1.01,9.02,4]undecanyl)pentanoyl]imidazo[1,2-a]pyridin-2-yl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[5-[5-(6-tetracyclo[5.3.1.01,9.02,4]undecanyl)pentanoyl]imidazo[1,2-a]pyridin-2-yl]acetyl]piperidine-4-carboxamide (CID 143685801) is 1-[2-[5-[5-(6-tetracyclo[5.3.1.01,9.02,4]undecanyl)pentanoyl]imidazo[1,2-a]pyridin-2-yl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[5-[5-(6-tetracyclo[5.3.1.01,9.02,4]undecanyl)pentanoyl]imidazo[1,2-a]pyridin-2-yl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[5-[5-(6-tetracyclo[5.3.1.01,9.02,4]undecanyl)pentanoyl]imidazo[1,2-a]pyridin-2-yl]acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)Cc2cn3c(C(=O)CCCCC4CC5CC5C56CC4CC5C6)cccc3n2)CC1.
What is the InChIKey of 1-[2-[5-[5-(6-tetracyclo[5.3.1.01,9.02,4]undecanyl)pentanoyl]imidazo[1,2-a]pyridin-2-yl]acetyl]piperidine-4-carboxamide?
The InChIKey is OHMDKCDTCPUKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N4O3/c32-30(38)19-8-10-34(11-9-19)29(37)15-24-18-35-26(5-3-7-28(35)33-24)27(36)6-2-1-4-20-12-21-14-25(21)31-16-22(20)13-23(31)17-31/h3,5,7,18-23,25H,1-2,4,6,8-17H2,(H2,32,38).
What are the key properties of 1-[2-[5-[5-(6-tetracyclo[5.3.1.01,9.02,4]undecanyl)pentanoyl]imidazo[1,2-a]pyridin-2-yl]acetyl]piperidine-4-carboxamide?
1-[2-[5-[5-(6-tetracyclo[5.3.1.01,9.02,4]undecanyl)pentanoyl]imidazo[1,2-a]pyridin-2-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 516.69 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[5-(6-tetracyclo[5.3.1.01,9.02,4]undecanyl)pentanoyl]imidazo[1,2-a]pyridin-2-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 143685801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).