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

C24H24ClN5OS — CID 67425268

IUPACtrans-(1R,2R)-N-[4-(6-cyclopropyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride
SMILESC[C@@H]1C[C@H]1C(=O)Nc1snc(-c2ccc3nn(C)cc3c2)c1-c1cccc(C2CC2)n1.Cl
InChIInChI=1S/C24H23N5OS.ClH/c1-13-10-17(13)23(30)26-24-21(20-5-3-4-18(25-20)14-6-7-14)22(28-31-24)15-8-9-19-16(11-15)12-29(2)27-19;/h3-5,8-9,11-14,17H,6-7,10H2,1-2H3,(H,26,30);1H/t13-,17-;/m1./s1
InChIKeyCXGMXDGSMOXWGU-UFIUYGHPSA-N
MW466.01 g/mol
LogP5.65
Rot. Bonds5

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

trans-(1R,2R)-N-[4-(6-cyclopropyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 67425268) has the molecular formula C24H24ClN5OS and a molecular weight of 466.01 g/mol. Its IUPAC name is trans-(1R,2R)-N-[4-(6-cyclopropyl-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-cyclopropyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride
PubChem CID67425268
Molecular FormulaC24H24ClN5OS
Molecular Weight466.01 g/mol
Exact Mass465.14
IUPAC Nametrans-(1R,2R)-N-[4-(6-cyclopropyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride
SMILESC[C@@H]1C[C@H]1C(=O)Nc1snc(-c2ccc3nn(C)cc3c2)c1-c1cccc(C2CC2)n1.Cl
InChIInChI=1S/C24H23N5OS.ClH/c1-13-10-17(13)23(30)26-24-21(20-5-3-4-18(25-20)14-6-7-14)22(28-31-24)15-8-9-19-16(11-15)12-29(2)27-19;/h3-5,8-9,11-14,17H,6-7,10H2,1-2H3,(H,26,30);1H/t13-,17-;/m1./s1
InChIKeyCXGMXDGSMOXWGU-UFIUYGHPSA-N
XLogP5.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.01
LogP ≤ 55.65
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-cyclopropyl-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-cyclopropyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride (CID 67425268) is trans-(1R,2R)-N-[4-(6-cyclopropyl-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-cyclopropyl-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-cyclopropyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride is C[C@@H]1C[C@H]1C(=O)Nc1snc(-c2ccc3nn(C)cc3c2)c1-c1cccc(C2CC2)n1.Cl.
What is the InChIKey of trans-(1R,2R)-N-[4-(6-cyclopropyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is CXGMXDGSMOXWGU-UFIUYGHPSA-N. The full InChI is InChI=1S/C24H23N5OS.ClH/c1-13-10-17(13)23(30)26-24-21(20-5-3-4-18(25-20)14-6-7-14)22(28-31-24)15-8-9-19-16(11-15)12-29(2)27-19;/h3-5,8-9,11-14,17H,6-7,10H2,1-2H3,(H,26,30);1H/t13-,17-;/m1./s1.
What are the key properties of trans-(1R,2R)-N-[4-(6-cyclopropyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
trans-(1R,2R)-N-[4-(6-cyclopropyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 466.01 g/mol, XLogP of 5.65, 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-cyclopropyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 67425268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).