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

C24H29N7O2S — CID 127045389

IUPACN-[2-(diethylamino)ethyl]-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)NCCN(CC)CC)nc4)s3)[nH]nc21
InChIInChI=1S/C24H29N7O2S/c1-4-12-31-20(32)10-8-17-21(28-29-22(17)31)19-15-27-24(34-19)16-7-9-18(26-14-16)23(33)25-11-13-30(5-2)6-3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,25,33)(H,28,29)
InChIKeyJKVOHZBANWLFPR-UHFFFAOYSA-N
MW479.61 g/mol
LogP3.39
Rot. Bonds10

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

N-[2-(diethylamino)ethyl]-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 127045389) has the molecular formula C24H29N7O2S and a molecular weight of 479.61 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-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-(diethylamino)ethyl]-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID127045389
Molecular FormulaC24H29N7O2S
Molecular Weight479.61 g/mol
Exact Mass479.21
IUPAC NameN-[2-(diethylamino)ethyl]-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)NCCN(CC)CC)nc4)s3)[nH]nc21
InChIInChI=1S/C24H29N7O2S/c1-4-12-31-20(32)10-8-17-21(28-29-22(17)31)19-15-27-24(34-19)16-7-9-18(26-14-16)23(33)25-11-13-30(5-2)6-3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,25,33)(H,28,29)
InChIKeyJKVOHZBANWLFPR-UHFFFAOYSA-N
XLogP3.39
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-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-(diethylamino)ethyl]-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 127045389) is N-[2-(diethylamino)ethyl]-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-(diethylamino)ethyl]-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-(diethylamino)ethyl]-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)NCCN(CC)CC)nc4)s3)[nH]nc21.
What is the InChIKey of N-[2-(diethylamino)ethyl]-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 JKVOHZBANWLFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2S/c1-4-12-31-20(32)10-8-17-21(28-29-22(17)31)19-15-27-24(34-19)16-7-9-18(26-14-16)23(33)25-11-13-30(5-2)6-3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,25,33)(H,28,29).
What are the key properties of N-[2-(diethylamino)ethyl]-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
N-[2-(diethylamino)ethyl]-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 479.61 g/mol, XLogP of 3.39, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-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 127045389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).