1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-yl-1-methylurea

C14H16N6O — CID 134363694

IUPAC1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-yl-1-methylurea
SMILESCN(C(=O)Nc1cn2ccccc2n1)[C@@H]1CCN(C#N)C1
InChIInChI=1S/C14H16N6O/c1-18(11-5-7-19(8-11)10-15)14(21)17-12-9-20-6-3-2-4-13(20)16-12/h2-4,6,9,11H,5,7-8H2,1H3,(H,17,21)/t11-/m1/s1
InChIKeyCZYRXBURHBTUFL-LLVKDONJSA-N
MW284.32 g/mol
LogP1.35
Rot. Bonds2

About 1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-yl-1-methylurea

1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-yl-1-methylurea (PubChem CID 134363694) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-yl-1-methylurea.

Molecular Properties

Compound Name1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-yl-1-methylurea
PubChem CID134363694
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-yl-1-methylurea
SMILESCN(C(=O)Nc1cn2ccccc2n1)[C@@H]1CCN(C#N)C1
InChIInChI=1S/C14H16N6O/c1-18(11-5-7-19(8-11)10-15)14(21)17-12-9-20-6-3-2-4-13(20)16-12/h2-4,6,9,11H,5,7-8H2,1H3,(H,17,21)/t11-/m1/s1
InChIKeyCZYRXBURHBTUFL-LLVKDONJSA-N
XLogP1.35
TPSA76.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-yl-1-methylurea?
The IUPAC name of 1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-yl-1-methylurea (CID 134363694) is 1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-yl-1-methylurea.
What is the SMILES notation for 1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-yl-1-methylurea?
The canonical SMILES for 1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-yl-1-methylurea is CN(C(=O)Nc1cn2ccccc2n1)[C@@H]1CCN(C#N)C1.
What is the InChIKey of 1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-yl-1-methylurea?
The InChIKey is CZYRXBURHBTUFL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N6O/c1-18(11-5-7-19(8-11)10-15)14(21)17-12-9-20-6-3-2-4-13(20)16-12/h2-4,6,9,11H,5,7-8H2,1H3,(H,17,21)/t11-/m1/s1.
What are the key properties of 1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-yl-1-methylurea?
1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-yl-1-methylurea has a molecular weight of 284.32 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-cyanopyrrolidin-3-yl]-3-imidazo[1,2-a]pyridin-2-yl-1-methylurea is sourced from PubChem (CID 134363694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).