N-[[(1R)-4-ethyl-3,3-dimethylcyclohexyl]methyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide

C27H41N5O2 — CID 143685724

IUPACN-[[(1R)-4-ethyl-3,3-dimethylcyclohexyl]methyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCCC1CC[C@@H](CNC(=O)c2cccc3nc(CC(=O)NCC4CCNCC4)cn23)CC1(C)C
InChIInChI=1S/C27H41N5O2/c1-4-21-9-8-20(15-27(21,2)3)17-30-26(34)23-6-5-7-24-31-22(18-32(23)24)14-25(33)29-16-19-10-12-28-13-11-19/h5-7,18-21,28H,4,8-17H2,1-3H3,(H,29,33)(H,30,34)/t20-,21?/m1/s1
InChIKeyUAVMVSVBKLQFFE-VQCQRNETSA-N
MW467.66 g/mol
LogP3.57
Rot. Bonds8

About N-[[(1R)-4-ethyl-3,3-dimethylcyclohexyl]methyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide

N-[[(1R)-4-ethyl-3,3-dimethylcyclohexyl]methyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 143685724) has the molecular formula C27H41N5O2 and a molecular weight of 467.66 g/mol. Its IUPAC name is N-[[(1R)-4-ethyl-3,3-dimethylcyclohexyl]methyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[(1R)-4-ethyl-3,3-dimethylcyclohexyl]methyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID143685724
Molecular FormulaC27H41N5O2
Molecular Weight467.66 g/mol
Exact Mass467.33
IUPAC NameN-[[(1R)-4-ethyl-3,3-dimethylcyclohexyl]methyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCCC1CC[C@@H](CNC(=O)c2cccc3nc(CC(=O)NCC4CCNCC4)cn23)CC1(C)C
InChIInChI=1S/C27H41N5O2/c1-4-21-9-8-20(15-27(21,2)3)17-30-26(34)23-6-5-7-24-31-22(18-32(23)24)14-25(33)29-16-19-10-12-28-13-11-19/h5-7,18-21,28H,4,8-17H2,1-3H3,(H,29,33)(H,30,34)/t20-,21?/m1/s1
InChIKeyUAVMVSVBKLQFFE-VQCQRNETSA-N
XLogP3.57
TPSA87.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.66
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-4-ethyl-3,3-dimethylcyclohexyl]methyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of N-[[(1R)-4-ethyl-3,3-dimethylcyclohexyl]methyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide (CID 143685724) is N-[[(1R)-4-ethyl-3,3-dimethylcyclohexyl]methyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for N-[[(1R)-4-ethyl-3,3-dimethylcyclohexyl]methyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for N-[[(1R)-4-ethyl-3,3-dimethylcyclohexyl]methyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide is CCC1CC[C@@H](CNC(=O)c2cccc3nc(CC(=O)NCC4CCNCC4)cn23)CC1(C)C.
What is the InChIKey of N-[[(1R)-4-ethyl-3,3-dimethylcyclohexyl]methyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is UAVMVSVBKLQFFE-VQCQRNETSA-N. The full InChI is InChI=1S/C27H41N5O2/c1-4-21-9-8-20(15-27(21,2)3)17-30-26(34)23-6-5-7-24-31-22(18-32(23)24)14-25(33)29-16-19-10-12-28-13-11-19/h5-7,18-21,28H,4,8-17H2,1-3H3,(H,29,33)(H,30,34)/t20-,21?/m1/s1.
What are the key properties of N-[[(1R)-4-ethyl-3,3-dimethylcyclohexyl]methyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide?
N-[[(1R)-4-ethyl-3,3-dimethylcyclohexyl]methyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 467.66 g/mol, XLogP of 3.57, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-4-ethyl-3,3-dimethylcyclohexyl]methyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 143685724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).