N-(2-morpholin-4-ylethyl)-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

C24H27N7O3S — CID 127045390

IUPACN-(2-morpholin-4-ylethyl)-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCCCn1c(=O)ccc2c(-c3cnc(-c4ccc(C(=O)NCCN5CCOCC5)nc4)s3)[nH]nc21
InChIInChI=1S/C24H27N7O3S/c1-2-8-31-20(32)6-4-17-21(28-29-22(17)31)19-15-27-24(35-19)16-3-5-18(26-14-16)23(33)25-7-9-30-10-12-34-13-11-30/h3-6,14-15H,2,7-13H2,1H3,(H,25,33)(H,28,29)
InChIKeyJRFZLLFSYNBRHC-UHFFFAOYSA-N
MW493.59 g/mol
LogP2.38
Rot. Bonds8

About N-(2-morpholin-4-ylethyl)-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

N-(2-morpholin-4-ylethyl)-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 127045390) has the molecular formula C24H27N7O3S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID127045390
Molecular FormulaC24H27N7O3S
Molecular Weight493.59 g/mol
Exact Mass493.19
IUPAC NameN-(2-morpholin-4-ylethyl)-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCCCn1c(=O)ccc2c(-c3cnc(-c4ccc(C(=O)NCCN5CCOCC5)nc4)s3)[nH]nc21
InChIInChI=1S/C24H27N7O3S/c1-2-8-31-20(32)6-4-17-21(28-29-22(17)31)19-15-27-24(35-19)16-3-5-18(26-14-16)23(33)25-7-9-30-10-12-34-13-11-30/h3-6,14-15H,2,7-13H2,1H3,(H,25,33)(H,28,29)
InChIKeyJRFZLLFSYNBRHC-UHFFFAOYSA-N
XLogP2.38
TPSA118.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze N-(2-morpholin-4-ylethyl)-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 127045390) is N-(2-morpholin-4-ylethyl)-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is CCCn1c(=O)ccc2c(-c3cnc(-c4ccc(C(=O)NCCN5CCOCC5)nc4)s3)[nH]nc21.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is JRFZLLFSYNBRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3S/c1-2-8-31-20(32)6-4-17-21(28-29-22(17)31)19-15-27-24(35-19)16-3-5-18(26-14-16)23(33)25-7-9-30-10-12-34-13-11-30/h3-6,14-15H,2,7-13H2,1H3,(H,25,33)(H,28,29).
What are the key properties of N-(2-morpholin-4-ylethyl)-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
N-(2-morpholin-4-ylethyl)-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 493.59 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 127045390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).