(3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone

C21H19N5O2S — CID 2999639

IUPAC(3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone
SMILESCc1nn(-c2ccccn2)c2nc(-c3cccs3)cc(C(=O)N3CCOCC3)c12
InChIInChI=1S/C21H19N5O2S/c1-14-19-15(21(27)25-8-10-28-11-9-25)13-16(17-5-4-12-29-17)23-20(19)26(24-14)18-6-2-3-7-22-18/h2-7,12-13H,8-11H2,1H3
InChIKeyZPISRUGNMFDTLG-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.32
Rot. Bonds3

About (3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone

(3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone (PubChem CID 2999639) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is (3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone
PubChem CID2999639
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC Name(3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone
SMILESCc1nn(-c2ccccn2)c2nc(-c3cccs3)cc(C(=O)N3CCOCC3)c12
InChIInChI=1S/C21H19N5O2S/c1-14-19-15(21(27)25-8-10-28-11-9-25)13-16(17-5-4-12-29-17)23-20(19)26(24-14)18-6-2-3-7-22-18/h2-7,12-13H,8-11H2,1H3
InChIKeyZPISRUGNMFDTLG-UHFFFAOYSA-N
XLogP3.32
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone?
The IUPAC name of (3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone (CID 2999639) is (3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone is Cc1nn(-c2ccccn2)c2nc(-c3cccs3)cc(C(=O)N3CCOCC3)c12.
What is the InChIKey of (3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone?
The InChIKey is ZPISRUGNMFDTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-14-19-15(21(27)25-8-10-28-11-9-25)13-16(17-5-4-12-29-17)23-20(19)26(24-14)18-6-2-3-7-22-18/h2-7,12-13H,8-11H2,1H3.
What are the key properties of (3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone?
(3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone has a molecular weight of 405.48 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 2999639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).