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

C25H26ClN5OS — CID 67103353

IUPACtrans-(1R,2R)-N-[4-(6-cyclobutyl-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(C2CCC2)n1.Cl
InChIInChI=1S/C25H25N5OS.ClH/c1-14-11-18(14)24(31)27-25-22(21-8-4-7-19(26-21)15-5-3-6-15)23(29-32-25)16-9-10-20-17(12-16)13-30(2)28-20;/h4,7-10,12-15,18H,3,5-6,11H2,1-2H3,(H,27,31);1H/t14-,18-;/m1./s1
InChIKeyUOWFQOOHHORUGO-KEZWHQCISA-N
MW480.04 g/mol
LogP6.04
Rot. Bonds5

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

trans-(1R,2R)-N-[4-(6-cyclobutyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 67103353) has the molecular formula C25H26ClN5OS and a molecular weight of 480.04 g/mol. Its IUPAC name is trans-(1R,2R)-N-[4-(6-cyclobutyl-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-cyclobutyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride
PubChem CID67103353
Molecular FormulaC25H26ClN5OS
Molecular Weight480.04 g/mol
Exact Mass479.15
IUPAC Nametrans-(1R,2R)-N-[4-(6-cyclobutyl-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(C2CCC2)n1.Cl
InChIInChI=1S/C25H25N5OS.ClH/c1-14-11-18(14)24(31)27-25-22(21-8-4-7-19(26-21)15-5-3-6-15)23(29-32-25)16-9-10-20-17(12-16)13-30(2)28-20;/h4,7-10,12-15,18H,3,5-6,11H2,1-2H3,(H,27,31);1H/t14-,18-;/m1./s1
InChIKeyUOWFQOOHHORUGO-KEZWHQCISA-N
XLogP6.04
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.04
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[4-(6-cyclobutyl-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-cyclobutyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride (CID 67103353) is trans-(1R,2R)-N-[4-(6-cyclobutyl-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-cyclobutyl-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-cyclobutyl-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(C2CCC2)n1.Cl.
What is the InChIKey of trans-(1R,2R)-N-[4-(6-cyclobutyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is UOWFQOOHHORUGO-KEZWHQCISA-N. The full InChI is InChI=1S/C25H25N5OS.ClH/c1-14-11-18(14)24(31)27-25-22(21-8-4-7-19(26-21)15-5-3-6-15)23(29-32-25)16-9-10-20-17(12-16)13-30(2)28-20;/h4,7-10,12-15,18H,3,5-6,11H2,1-2H3,(H,27,31);1H/t14-,18-;/m1./s1.
What are the key properties of trans-(1R,2R)-N-[4-(6-cyclobutyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
trans-(1R,2R)-N-[4-(6-cyclobutyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 480.04 g/mol, XLogP of 6.04, 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-cyclobutyl-2-pyridinyl)-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 67103353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).