N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide

C22H23N7OS — CID 56836262

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2csc(Nc3ccccc3)n2)c1
InChIInChI=1S/C22H23N7OS/c1-14-8-20(23)26-15(2)19(14)10-24-21(30)16-9-25-29(11-16)12-18-13-31-22(28-18)27-17-6-4-3-5-7-17/h3-9,11,13H,10,12H2,1-2H3,(H2,23,26)(H,24,30)(H,27,28)
InChIKeyKRVANXMIFRIDJT-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.66
Rot. Bonds7

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 56836262) has the molecular formula C22H23N7OS and a molecular weight of 433.54 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID56836262
Molecular FormulaC22H23N7OS
Molecular Weight433.54 g/mol
Exact Mass433.17
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2csc(Nc3ccccc3)n2)c1
InChIInChI=1S/C22H23N7OS/c1-14-8-20(23)26-15(2)19(14)10-24-21(30)16-9-25-29(11-16)12-18-13-31-22(28-18)27-17-6-4-3-5-7-17/h3-9,11,13H,10,12H2,1-2H3,(H2,23,26)(H,24,30)(H,27,28)
InChIKeyKRVANXMIFRIDJT-UHFFFAOYSA-N
XLogP3.66
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide (CID 56836262) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2csc(Nc3ccccc3)n2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is KRVANXMIFRIDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7OS/c1-14-8-20(23)26-15(2)19(14)10-24-21(30)16-9-25-29(11-16)12-18-13-31-22(28-18)27-17-6-4-3-5-7-17/h3-9,11,13H,10,12H2,1-2H3,(H2,23,26)(H,24,30)(H,27,28).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 433.54 g/mol, XLogP of 3.66, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 56836262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).