4-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C17H15N7OS — CID 154819196

IUPAC4-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)NCc1[nH]nc2ncccc12
InChIInChI=1S/C17H15N7OS/c1-2-11-13(26-17(22-11)15-19-7-4-8-20-15)16(25)21-9-12-10-5-3-6-18-14(10)24-23-12/h3-8H,2,9H2,1H3,(H,21,25)(H,18,23,24)
InChIKeyBWWAINNHHIZZPE-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.36
Rot. Bonds5

About 4-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

4-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 154819196) has the molecular formula C17H15N7OS and a molecular weight of 365.42 g/mol. Its IUPAC name is 4-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID154819196
Molecular FormulaC17H15N7OS
Molecular Weight365.42 g/mol
Exact Mass365.11
IUPAC Name4-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)NCc1[nH]nc2ncccc12
InChIInChI=1S/C17H15N7OS/c1-2-11-13(26-17(22-11)15-19-7-4-8-20-15)16(25)21-9-12-10-5-3-6-18-14(10)24-23-12/h3-8H,2,9H2,1H3,(H,21,25)(H,18,23,24)
InChIKeyBWWAINNHHIZZPE-UHFFFAOYSA-N
XLogP2.36
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 154819196) is 4-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CCc1nc(-c2ncccn2)sc1C(=O)NCc1[nH]nc2ncccc12.
What is the InChIKey of 4-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is BWWAINNHHIZZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7OS/c1-2-11-13(26-17(22-11)15-19-7-4-8-20-15)16(25)21-9-12-10-5-3-6-18-14(10)24-23-12/h3-8H,2,9H2,1H3,(H,21,25)(H,18,23,24).
What are the key properties of 4-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
4-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 365.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154819196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).