methane;[2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate

C21H21N5O3S — CID 158307424

IUPACmethane;[2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate
SMILESC.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(N4CCOCC4)nc32)n1
InChIInChI=1S/C20H17N5O3S.CH4/c26-13-28-17-12-29-20(22-17)25-19-15(18(23-25)14-4-2-1-3-5-14)6-7-16(21-19)24-8-10-27-11-9-24;/h1-7,12-13H,8-11H2;1H4
InChIKeyGNGFVCMUSYXDDH-UHFFFAOYSA-N
MW423.50 g/mol
LogP3.55
Rot. Bonds5

About methane;[2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate

methane;[2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate (PubChem CID 158307424) has the molecular formula C21H21N5O3S and a molecular weight of 423.50 g/mol. Its IUPAC name is methane;[2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Namemethane;[2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate
PubChem CID158307424
Molecular FormulaC21H21N5O3S
Molecular Weight423.50 g/mol
Exact Mass423.14
IUPAC Namemethane;[2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate
SMILESC.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(N4CCOCC4)nc32)n1
InChIInChI=1S/C20H17N5O3S.CH4/c26-13-28-17-12-29-20(22-17)25-19-15(18(23-25)14-4-2-1-3-5-14)6-7-16(21-19)24-8-10-27-11-9-24;/h1-7,12-13H,8-11H2;1H4
InChIKeyGNGFVCMUSYXDDH-UHFFFAOYSA-N
XLogP3.55
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;[2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate?
The IUPAC name of methane;[2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate (CID 158307424) is methane;[2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate.
What is the SMILES notation for methane;[2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate?
The canonical SMILES for methane;[2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate is C.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(N4CCOCC4)nc32)n1.
What is the InChIKey of methane;[2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate?
The InChIKey is GNGFVCMUSYXDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S.CH4/c26-13-28-17-12-29-20(22-17)25-19-15(18(23-25)14-4-2-1-3-5-14)6-7-16(21-19)24-8-10-27-11-9-24;/h1-7,12-13H,8-11H2;1H4.
What are the key properties of methane;[2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate?
methane;[2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate has a molecular weight of 423.50 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methane;[2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 158307424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).