2-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide

C26H34N6O — CID 70862382

IUPAC2-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCc1ccc(C2(CNC(=O)c3cccc4nc(CN5CC[C@@H](N)C5)cn34)CCCCC2)cn1
InChIInChI=1S/C26H34N6O/c1-19-8-9-20(14-28-19)26(11-3-2-4-12-26)18-29-25(33)23-6-5-7-24-30-22(17-32(23)24)16-31-13-10-21(27)15-31/h5-9,14,17,21H,2-4,10-13,15-16,18,27H2,1H3,(H,29,33)/t21-/m1/s1
InChIKeyTUDLVSPSBJBUAA-OAQYLSRUSA-N
MW446.60 g/mol
LogP3.20
Rot. Bonds6

About 2-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide

2-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 70862382) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is 2-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID70862382
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC Name2-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCc1ccc(C2(CNC(=O)c3cccc4nc(CN5CC[C@@H](N)C5)cn34)CCCCC2)cn1
InChIInChI=1S/C26H34N6O/c1-19-8-9-20(14-28-19)26(11-3-2-4-12-26)18-29-25(33)23-6-5-7-24-30-22(17-32(23)24)16-31-13-10-21(27)15-31/h5-9,14,17,21H,2-4,10-13,15-16,18,27H2,1H3,(H,29,33)/t21-/m1/s1
InChIKeyTUDLVSPSBJBUAA-OAQYLSRUSA-N
XLogP3.20
TPSA88.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of 2-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide (CID 70862382) is 2-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for 2-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for 2-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide is Cc1ccc(C2(CNC(=O)c3cccc4nc(CN5CC[C@@H](N)C5)cn34)CCCCC2)cn1.
What is the InChIKey of 2-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is TUDLVSPSBJBUAA-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H34N6O/c1-19-8-9-20(14-28-19)26(11-3-2-4-12-26)18-29-25(33)23-6-5-7-24-30-22(17-32(23)24)16-31-13-10-21(27)15-31/h5-9,14,17,21H,2-4,10-13,15-16,18,27H2,1H3,(H,29,33)/t21-/m1/s1.
What are the key properties of 2-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide?
2-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 70862382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).