(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone

C22H32N4O2 — CID 48690231

IUPAC(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CC(C)OC(C)(C)C3)c12
InChIInChI=1S/C22H32N4O2/c1-13-11-25(12-22(6,7)28-13)20(27)16-10-17(15-8-9-15)23-19-18(16)14(2)24-26(19)21(3,4)5/h10,13,15H,8-9,11-12H2,1-7H3
InChIKeyRQJDTQGYMLACNQ-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.01
Rot. Bonds2

About (1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone

(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone (PubChem CID 48690231) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is (1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
PubChem CID48690231
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CC(C)OC(C)(C)C3)c12
InChIInChI=1S/C22H32N4O2/c1-13-11-25(12-22(6,7)28-13)20(27)16-10-17(15-8-9-15)23-19-18(16)14(2)24-26(19)21(3,4)5/h10,13,15H,8-9,11-12H2,1-7H3
InChIKeyRQJDTQGYMLACNQ-UHFFFAOYSA-N
XLogP4.01
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The IUPAC name of (1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone (CID 48690231) is (1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The canonical SMILES for (1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone is Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CC(C)OC(C)(C)C3)c12.
What is the InChIKey of (1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The InChIKey is RQJDTQGYMLACNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-13-11-25(12-22(6,7)28-13)20(27)16-10-17(15-8-9-15)23-19-18(16)14(2)24-26(19)21(3,4)5/h10,13,15H,8-9,11-12H2,1-7H3.
What are the key properties of (1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone has a molecular weight of 384.52 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 48690231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).