2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropanal;2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropan-1-ol;4-[2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropyl]morpholine

C37H44I3N7O3 — CID 167541422

IUPAC2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropanal;2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropan-1-ol;4-[2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropyl]morpholine
SMILESCC(C)(C=O)c1ccc2c(I)cnn2c1.CC(C)(CN1CCOCC1)c1ccc2c(I)cnn2c1.CC(C)(CO)c1ccc2c(I)cnn2c1
InChIInChI=1S/C15H20IN3O.C11H13IN2O.C11H11IN2O/c1-15(2,11-18-5-7-20-8-6-18)12-3-4-14-13(16)9-17-19(14)10-12;2*1-11(2,7-15)8-3-4-10-9(12)5-13-14(10)6-8/h3-4,9-10H,5-8,11H2,1-2H3;3-6,15H,7H2,1-2H3;3-7H,1-2H3
InChIKeyBFZOGYQBWBCDBO-UHFFFAOYSA-N
MW1015.52 g/mol
LogP7.17
Rot. Bonds7

About 2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropanal;2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropan-1-ol;4-[2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropyl]morpholine

2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropanal;2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropan-1-ol;4-[2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropyl]morpholine (PubChem CID 167541422) has the molecular formula C37H44I3N7O3 and a molecular weight of 1015.52 g/mol. Its IUPAC name is 2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropanal;2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropan-1-ol;4-[2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropyl]morpholine.

Molecular Properties

Compound Name2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropanal;2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropan-1-ol;4-[2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropyl]morpholine
PubChem CID167541422
Molecular FormulaC37H44I3N7O3
Molecular Weight1015.52 g/mol
Exact Mass1015.06
IUPAC Name2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropanal;2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropan-1-ol;4-[2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropyl]morpholine
SMILESCC(C)(C=O)c1ccc2c(I)cnn2c1.CC(C)(CN1CCOCC1)c1ccc2c(I)cnn2c1.CC(C)(CO)c1ccc2c(I)cnn2c1
InChIInChI=1S/C15H20IN3O.C11H13IN2O.C11H11IN2O/c1-15(2,11-18-5-7-20-8-6-18)12-3-4-14-13(16)9-17-19(14)10-12;2*1-11(2,7-15)8-3-4-10-9(12)5-13-14(10)6-8/h3-4,9-10H,5-8,11H2,1-2H3;3-6,15H,7H2,1-2H3;3-7H,1-2H3
InChIKeyBFZOGYQBWBCDBO-UHFFFAOYSA-N
XLogP7.17
TPSA101.67 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001015.52
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropanal;2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropan-1-ol;4-[2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropyl]morpholine?
The IUPAC name of 2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropanal;2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropan-1-ol;4-[2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropyl]morpholine (CID 167541422) is 2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropanal;2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropan-1-ol;4-[2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropyl]morpholine.
What is the SMILES notation for 2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropanal;2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropan-1-ol;4-[2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropyl]morpholine?
The canonical SMILES for 2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropanal;2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropan-1-ol;4-[2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropyl]morpholine is CC(C)(C=O)c1ccc2c(I)cnn2c1.CC(C)(CN1CCOCC1)c1ccc2c(I)cnn2c1.CC(C)(CO)c1ccc2c(I)cnn2c1.
What is the InChIKey of 2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropanal;2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropan-1-ol;4-[2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropyl]morpholine?
The InChIKey is BFZOGYQBWBCDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20IN3O.C11H13IN2O.C11H11IN2O/c1-15(2,11-18-5-7-20-8-6-18)12-3-4-14-13(16)9-17-19(14)10-12;2*1-11(2,7-15)8-3-4-10-9(12)5-13-14(10)6-8/h3-4,9-10H,5-8,11H2,1-2H3;3-6,15H,7H2,1-2H3;3-7H,1-2H3.
What are the key properties of 2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropanal;2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropan-1-ol;4-[2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropyl]morpholine?
2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropanal;2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropan-1-ol;4-[2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropyl]morpholine has a molecular weight of 1015.52 g/mol, XLogP of 7.17, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropanal;2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropan-1-ol;4-[2-(3-iodopyrazolo[1,5-a]pyridin-6-yl)-2-methylpropyl]morpholine is sourced from PubChem (CID 167541422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).