N-cyclohexyl-5-(1,3-thiazol-5-yl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide;2-methoxyethanol

C19H25N5O3S — CID 155598600

IUPACN-cyclohexyl-5-(1,3-thiazol-5-yl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide;2-methoxyethanol
SMILESCOCCO.O=C(NC1CCCCC1)c1nc(-c2cncs2)cc2cn[nH]c12
InChIInChI=1S/C16H17N5OS.C3H8O2/c22-16(19-11-4-2-1-3-5-11)15-14-10(7-18-21-14)6-12(20-15)13-8-17-9-23-13;1-5-3-2-4/h6-9,11H,1-5H2,(H,18,21)(H,19,22);4H,2-3H2,1H3
InChIKeyNNLJDFQQRACARD-UHFFFAOYSA-N
MW403.51 g/mol
LogP2.77
Rot. Bonds5

About N-cyclohexyl-5-(1,3-thiazol-5-yl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide;2-methoxyethanol

N-cyclohexyl-5-(1,3-thiazol-5-yl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide;2-methoxyethanol (PubChem CID 155598600) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-cyclohexyl-5-(1,3-thiazol-5-yl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide;2-methoxyethanol.

Molecular Properties

Compound NameN-cyclohexyl-5-(1,3-thiazol-5-yl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide;2-methoxyethanol
PubChem CID155598600
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC NameN-cyclohexyl-5-(1,3-thiazol-5-yl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide;2-methoxyethanol
SMILESCOCCO.O=C(NC1CCCCC1)c1nc(-c2cncs2)cc2cn[nH]c12
InChIInChI=1S/C16H17N5OS.C3H8O2/c22-16(19-11-4-2-1-3-5-11)15-14-10(7-18-21-14)6-12(20-15)13-8-17-9-23-13;1-5-3-2-4/h6-9,11H,1-5H2,(H,18,21)(H,19,22);4H,2-3H2,1H3
InChIKeyNNLJDFQQRACARD-UHFFFAOYSA-N
XLogP2.77
TPSA113.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-cyclohexyl-5-(1,3-thiazol-5-yl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide;2-methoxyethanol 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-cyclohexyl-5-(1,3-thiazol-5-yl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide;2-methoxyethanol?
The IUPAC name of N-cyclohexyl-5-(1,3-thiazol-5-yl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide;2-methoxyethanol (CID 155598600) is N-cyclohexyl-5-(1,3-thiazol-5-yl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide;2-methoxyethanol.
What is the SMILES notation for N-cyclohexyl-5-(1,3-thiazol-5-yl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide;2-methoxyethanol?
The canonical SMILES for N-cyclohexyl-5-(1,3-thiazol-5-yl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide;2-methoxyethanol is COCCO.O=C(NC1CCCCC1)c1nc(-c2cncs2)cc2cn[nH]c12.
What is the InChIKey of N-cyclohexyl-5-(1,3-thiazol-5-yl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide;2-methoxyethanol?
The InChIKey is NNLJDFQQRACARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS.C3H8O2/c22-16(19-11-4-2-1-3-5-11)15-14-10(7-18-21-14)6-12(20-15)13-8-17-9-23-13;1-5-3-2-4/h6-9,11H,1-5H2,(H,18,21)(H,19,22);4H,2-3H2,1H3.
What are the key properties of N-cyclohexyl-5-(1,3-thiazol-5-yl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide;2-methoxyethanol?
N-cyclohexyl-5-(1,3-thiazol-5-yl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide;2-methoxyethanol has a molecular weight of 403.51 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(1,3-thiazol-5-yl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide;2-methoxyethanol is sourced from PubChem (CID 155598600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).