N-[(3R)-1-cyanopyrrolidin-3-yl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide

C17H20N6O2 — CID 122590453

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)c2cnc3cc(N4CCOCC4)ccn23)C1
InChIInChI=1S/C17H20N6O2/c18-12-21-3-1-13(11-21)20-17(24)15-10-19-16-9-14(2-4-23(15)16)22-5-7-25-8-6-22/h2,4,9-10,13H,1,3,5-8,11H2,(H,20,24)/t13-/m1/s1
InChIKeyNQBLEXBWNWWHJE-CYBMUJFWSA-N
MW340.39 g/mol
LogP0.46
Rot. Bonds3

About N-[(3R)-1-cyanopyrrolidin-3-yl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide

N-[(3R)-1-cyanopyrrolidin-3-yl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 122590453) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID122590453
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)c2cnc3cc(N4CCOCC4)ccn23)C1
InChIInChI=1S/C17H20N6O2/c18-12-21-3-1-13(11-21)20-17(24)15-10-19-16-9-14(2-4-23(15)16)22-5-7-25-8-6-22/h2,4,9-10,13H,1,3,5-8,11H2,(H,20,24)/t13-/m1/s1
InChIKeyNQBLEXBWNWWHJE-CYBMUJFWSA-N
XLogP0.46
TPSA85.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide (CID 122590453) is N-[(3R)-1-cyanopyrrolidin-3-yl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide is N#CN1CC[C@@H](NC(=O)c2cnc3cc(N4CCOCC4)ccn23)C1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is NQBLEXBWNWWHJE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N6O2/c18-12-21-3-1-13(11-21)20-17(24)15-10-19-16-9-14(2-4-23(15)16)22-5-7-25-8-6-22/h2,4,9-10,13H,1,3,5-8,11H2,(H,20,24)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyanopyrrolidin-3-yl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 122590453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).