(1R,2R,4R)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C18H19N5O2 — CID 98847181

IUPAC(1R,2R,4R)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1cnn(Cc2cn3ccccc3n2)c1)[C@@H]1C[C@H]2CC[C@H]1O2
InChIInChI=1S/C18H19N5O2/c24-18(15-7-14-4-5-16(15)25-14)21-12-8-19-23(10-12)11-13-9-22-6-2-1-3-17(22)20-13/h1-3,6,8-10,14-16H,4-5,7,11H2,(H,21,24)/t14-,15-,16-/m1/s1
InChIKeyIFYREKJSVRJVQL-BZUAXINKSA-N
MW337.38 g/mol
LogP2.09
Rot. Bonds4

About (1R,2R,4R)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,4R)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 98847181) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is (1R,2R,4R)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4R)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID98847181
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name(1R,2R,4R)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1cnn(Cc2cn3ccccc3n2)c1)[C@@H]1C[C@H]2CC[C@H]1O2
InChIInChI=1S/C18H19N5O2/c24-18(15-7-14-4-5-16(15)25-14)21-12-8-19-23(10-12)11-13-9-22-6-2-1-3-17(22)20-13/h1-3,6,8-10,14-16H,4-5,7,11H2,(H,21,24)/t14-,15-,16-/m1/s1
InChIKeyIFYREKJSVRJVQL-BZUAXINKSA-N
XLogP2.09
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R,2R,4R)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

2-[(1S)-cyclopent-2-en-1-yl]-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]acetamide
CID 94822508
N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-5-methylpyrazine-2-carboxamide
CID 51105950
N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-1-piperidin-4-ylpyrazole-3-carboxamide
CID 166270328
N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 167755992
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]propanamide
CID 167875621
3-[(1-benzylpyrazol-4-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 3439709
N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014209
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 75438747
(1S,2R,4R)-N-(2H-triazol-4-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 154867617
5-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)pyridine-2-carboxylic acid
CID 126835225
(2S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 95173777
(1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 124504672

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,4R)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 98847181) is (1R,2R,4R)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,4R)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,4R)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1cnn(Cc2cn3ccccc3n2)c1)[C@@H]1C[C@H]2CC[C@H]1O2.
What is the InChIKey of (1R,2R,4R)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is IFYREKJSVRJVQL-BZUAXINKSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-18(15-7-14-4-5-16(15)25-14)21-12-8-19-23(10-12)11-13-9-22-6-2-1-3-17(22)20-13/h1-3,6,8-10,14-16H,4-5,7,11H2,(H,21,24)/t14-,15-,16-/m1/s1.
What are the key properties of (1R,2R,4R)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,4R)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 98847181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).