trans-(1R,2R)-N-[4-(6-ethyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride

C23H24ClN5OS — CID 67103334

IUPACtrans-(1R,2R)-N-[4-(6-ethyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride
SMILESCCc1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1.Cl
InChIInChI=1S/C23H23N5OS.ClH/c1-4-16-6-5-7-19(24-16)20-21(14-8-9-18-15(11-14)12-28(3)26-18)27-30-23(20)25-22(29)17-10-13(17)2;/h5-9,11-13,17H,4,10H2,1-3H3,(H,25,29);1H/t13-,17-;/m1./s1
InChIKeyJBZJDJKNQPJANR-UFIUYGHPSA-N
MW454.00 g/mol
LogP5.34
Rot. Bonds5

About trans-(1R,2R)-N-[4-(6-ethyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride

trans-(1R,2R)-N-[4-(6-ethyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 67103334) has the molecular formula C23H24ClN5OS and a molecular weight of 454.00 g/mol. Its IUPAC name is trans-(1R,2R)-N-[4-(6-ethyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[4-(6-ethyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride
PubChem CID67103334
Molecular FormulaC23H24ClN5OS
Molecular Weight454.00 g/mol
Exact Mass453.14
IUPAC Nametrans-(1R,2R)-N-[4-(6-ethyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride
SMILESCCc1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1.Cl
InChIInChI=1S/C23H23N5OS.ClH/c1-4-16-6-5-7-19(24-16)20-21(14-8-9-18-15(11-14)12-28(3)26-18)27-30-23(20)25-22(29)17-10-13(17)2;/h5-9,11-13,17H,4,10H2,1-3H3,(H,25,29);1H/t13-,17-;/m1./s1
InChIKeyJBZJDJKNQPJANR-UFIUYGHPSA-N
XLogP5.34
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.00
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[4-(6-ethyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of trans-(1R,2R)-N-[4-(6-ethyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride (CID 67103334) is trans-(1R,2R)-N-[4-(6-ethyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for trans-(1R,2R)-N-[4-(6-ethyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for trans-(1R,2R)-N-[4-(6-ethyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride is CCc1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1.Cl.
What is the InChIKey of trans-(1R,2R)-N-[4-(6-ethyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is JBZJDJKNQPJANR-UFIUYGHPSA-N. The full InChI is InChI=1S/C23H23N5OS.ClH/c1-4-16-6-5-7-19(24-16)20-21(14-8-9-18-15(11-14)12-28(3)26-18)27-30-23(20)25-22(29)17-10-13(17)2;/h5-9,11-13,17H,4,10H2,1-3H3,(H,25,29);1H/t13-,17-;/m1./s1.
What are the key properties of trans-(1R,2R)-N-[4-(6-ethyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
trans-(1R,2R)-N-[4-(6-ethyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 454.00 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[4-(6-ethyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 67103334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).