[(2R)-2-(propan-2-yloxymethyl)morpholin-4-yl]-(1-pyridin-4-ylpyrazol-4-yl)methanone

C17H22N4O3 — CID 164642614

IUPAC[(2R)-2-(propan-2-yloxymethyl)morpholin-4-yl]-(1-pyridin-4-ylpyrazol-4-yl)methanone
SMILESCC(C)OC[C@H]1CN(C(=O)c2cnn(-c3ccncc3)c2)CCO1
InChIInChI=1S/C17H22N4O3/c1-13(2)24-12-16-11-20(7-8-23-16)17(22)14-9-19-21(10-14)15-3-5-18-6-4-15/h3-6,9-10,13,16H,7-8,11-12H2,1-2H3/t16-/m1/s1
InChIKeySHFJJCHJLKOMJW-MRXNPFEDSA-N
MW330.39 g/mol
LogP1.53
Rot. Bonds5

About [(2R)-2-(propan-2-yloxymethyl)morpholin-4-yl]-(1-pyridin-4-ylpyrazol-4-yl)methanone

[(2R)-2-(propan-2-yloxymethyl)morpholin-4-yl]-(1-pyridin-4-ylpyrazol-4-yl)methanone (PubChem CID 164642614) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is [(2R)-2-(propan-2-yloxymethyl)morpholin-4-yl]-(1-pyridin-4-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(propan-2-yloxymethyl)morpholin-4-yl]-(1-pyridin-4-ylpyrazol-4-yl)methanone
PubChem CID164642614
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name[(2R)-2-(propan-2-yloxymethyl)morpholin-4-yl]-(1-pyridin-4-ylpyrazol-4-yl)methanone
SMILESCC(C)OC[C@H]1CN(C(=O)c2cnn(-c3ccncc3)c2)CCO1
InChIInChI=1S/C17H22N4O3/c1-13(2)24-12-16-11-20(7-8-23-16)17(22)14-9-19-21(10-14)15-3-5-18-6-4-15/h3-6,9-10,13,16H,7-8,11-12H2,1-2H3/t16-/m1/s1
InChIKeySHFJJCHJLKOMJW-MRXNPFEDSA-N
XLogP1.53
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(propan-2-yloxymethyl)morpholin-4-yl]-(1-pyridin-4-ylpyrazol-4-yl)methanone?
The IUPAC name of [(2R)-2-(propan-2-yloxymethyl)morpholin-4-yl]-(1-pyridin-4-ylpyrazol-4-yl)methanone (CID 164642614) is [(2R)-2-(propan-2-yloxymethyl)morpholin-4-yl]-(1-pyridin-4-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [(2R)-2-(propan-2-yloxymethyl)morpholin-4-yl]-(1-pyridin-4-ylpyrazol-4-yl)methanone?
The canonical SMILES for [(2R)-2-(propan-2-yloxymethyl)morpholin-4-yl]-(1-pyridin-4-ylpyrazol-4-yl)methanone is CC(C)OC[C@H]1CN(C(=O)c2cnn(-c3ccncc3)c2)CCO1.
What is the InChIKey of [(2R)-2-(propan-2-yloxymethyl)morpholin-4-yl]-(1-pyridin-4-ylpyrazol-4-yl)methanone?
The InChIKey is SHFJJCHJLKOMJW-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-13(2)24-12-16-11-20(7-8-23-16)17(22)14-9-19-21(10-14)15-3-5-18-6-4-15/h3-6,9-10,13,16H,7-8,11-12H2,1-2H3/t16-/m1/s1.
What are the key properties of [(2R)-2-(propan-2-yloxymethyl)morpholin-4-yl]-(1-pyridin-4-ylpyrazol-4-yl)methanone?
[(2R)-2-(propan-2-yloxymethyl)morpholin-4-yl]-(1-pyridin-4-ylpyrazol-4-yl)methanone has a molecular weight of 330.39 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(propan-2-yloxymethyl)morpholin-4-yl]-(1-pyridin-4-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 164642614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).